UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(1S)-2-(5-amino-7-hydroxy-triazolo[5,4-d]pyrimidin-3-yl)-1-methyl-ethoxy]methylphosphonic [(1S)-2-(5-amino-7-hydroxy-triaz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.47 -4.03 -115.55 3 11 -2 175 302.187 5 ↓
Mid Mid (pH 6-8) -1.92 -3.02 -72.33 4 11 -1 172 303.195 5 ↓
Mid Mid (pH 6-8) -1.92 -0.85 -140.02 3 11 -2 175 302.187 5 ↓

Analogs

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Popular Name: 3-benzyl-5-isopropyl-N-(2-morpholinoethyl)triazolo[4,5-e]pyrimidin-7-amine 3-benzyl-5-isopropyl-N-(2-morpho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 6.31 -8.75 1 8 0 81 381.484 7 ↓

Analogs

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Popular Name: 5-isopropyl-3-[[(3S)-1-(2-thienylmethyl)-3-piperidyl]methyl]triazolo[4,5-e]pyrimidin-7-ol 5-isopropyl-3-[[(3S)-1-(2-thieny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 6.33 -72.39 1 7 0 84 372.498 5 ↓
Hi High (pH 8-9.5) 2.90 4.05 -49.93 0 7 -1 83 371.49 5 ↓
Mid Mid (pH 6-8) 2.44 7.3 -57.99 2 7 1 81 373.506 5 ↓

Analogs

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Popular Name: 7-Chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidine 7-Chloro-3H-[1,2,3]triazolo[4,5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 1.02 -32.87 0 5 -1 66 154.54 0 ↓
Ref Reference (pH 7) 0.48 1.33 -32.41 0 5 -1 66 154.54 0 ↓
Lo Low (pH 4.5-6) 0.48 1.23 -7.43 1 5 0 67 155.548 0 ↓

Analogs

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Popular Name: 7-(4-benzhydrylpiperazin-1-yl)-3-methyl-triazolo[5,4-d]pyrimidine 7-(4-benzhydrylpiperazin-1-yl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.04 9.77 -7.76 0 7 0 63 385.475 4 ↓

Analogs

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Popular Name: 3-methyl-N-(2-morpholinoethyl)triazolo[4,5-e]pyrimidin-7-amine 3-methyl-N-(2-morpholinoethyl)tr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.39 1.22 -9 1 8 0 81 263.305 4 ↓

Analogs

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Popular Name: 3-methyl-N-(3-morpholinopropyl)triazolo[4,5-e]pyrimidin-7-amine 3-methyl-N-(3-morpholinopropyl)t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.12 2 -9.36 1 8 0 81 277.332 5 ↓

Analogs

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Popular Name: 2-[[3-[(2-chloro-6-fluoro-phenyl)methyl]-7-hydroxy-triazolo[5,4-d]pyrimidin-5-yl]methylsulfanyl]-N-( 2-[[3-[(2-chloro-6-fluoro-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 5.4 -59.01 1 10 -1 135 462.874 7 ↓
Mid Mid (pH 6-8) 1.77 5.83 -40.69 2 10 0 132 463.882 7 ↓

Analogs

4968033
4968033

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Popular Name: 3-[(2-chlorophenyl)methyl]-N-cyclopropyl-triazolo[4,5-d]pyrimidin-7-amine 3-[(2-chlorophenyl)methyl]-N-cyc…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.32 8.43 -7.11 1 6 0 69 300.753 4 ↓

Analogs

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Popular Name: 7-(4-benzhydrylpiperazin-1-yl)-3-ethyl-triazolo[5,4-d]pyrimidine 7-(4-benzhydrylpiperazin-1-yl)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 10.85 -7.56 0 7 0 63 399.502 5 ↓

Analogs

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Popular Name: 3-ethyl-N-(2-morpholinoethyl)triazolo[4,5-e]pyrimidin-7-amine 3-ethyl-N-(2-morpholinoethyl)tri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.02 2.09 -8.86 1 8 0 81 277.332 5 ↓

Analogs

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Popular Name: (1S,2R,3R,5S)-3-(5,7-diaminotriazolo[5,4-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol (1S,2R,3R,5S)-3-(5,7-diaminotria…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.27 -5.15 -14.28 7 10 0 169 281.276 2 ↓
Mid Mid (pH 6-8) -2.27 -9.15 -36.84 8 10 1 170 282.284 2 ↓
Mid Mid (pH 6-8) -2.27 -4.85 -40.62 8 10 1 170 282.284 2 ↓

Analogs

1328989
1328989
5763496
5763496

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Popular Name: N-(4-fluorophenyl)-7-hydroxy-3-(1-naphthylmethyl)triazolo[5,4-d]pyrimidine-5-carboxamide N-(4-fluorophenyl)-7-hydroxy-3-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 6.61 -43.03 1 8 -1 109 413.392 4 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.10 8.38 -60.39 0 10 -1 126 451.507 7 ↓
Lo Low (pH 4.5-6) 1.64 10.62 -30.19 1 10 0 123 452.515 7 ↓

Analogs

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Popular Name: (3S)-1-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylic (3S)-1-(3-phenyltriazolo[4,5-d]p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.27 9.93 -48 0 8 -1 100 323.336 3 ↓

Analogs

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Popular Name: (3R)-1-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylic (3R)-1-(3-phenyltriazolo[4,5-d]p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.27 9.96 -54.45 0 8 -1 100 323.336 3 ↓

Analogs

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Popular Name: N-(2-bromo-4,6-dimethoxy-phenyl)-3-[(1S)-1-(methoxymethyl)propyl]-5-methyl-triazolo[4,5-d]pyrimidin- N-(2-bromo-4,6-dimethoxy-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 6.29 -8.61 1 9 0 96 451.325 8 ↓

Analogs

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Popular Name: N-(2-bromo-4,6-dimethoxy-phenyl)-3-[(1R)-1-(methoxymethyl)propyl]-5-methyl-triazolo[4,5-d]pyrimidin- N-(2-bromo-4,6-dimethoxy-phenyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 6.41 -8.85 1 9 0 96 451.325 8 ↓

Analogs

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Popular Name: (2S)-1-[7-(2-bromo-4-isopropyl-phenyl)-5-methyl-triazolo[4,5-d]pyrimidin-3-yl]pentan-2-ol (2S)-1-[7-(2-bromo-4-isopropyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.55 8.77 -8.61 1 6 0 77 418.339 6 ↓

Analogs

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Popular Name: (2R)-1-[7-(2-bromo-4-isopropyl-phenyl)-5-methyl-triazolo[4,5-d]pyrimidin-3-yl]pentan-2-ol (2R)-1-[7-(2-bromo-4-isopropyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.55 8.79 -9.1 1 6 0 77 418.339 6 ↓

Analogs

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Popular Name: 7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidine 7-chloro-5-methyl-3-(2,4,6-trime…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 7.84 -6.85 0 5 0 57 287.754 1 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-5-methyl-7-(1-piperidyl)triazolo[5,4-d]pyrimidine 3-(2-bromo-4-isopropyl-phenyl)-5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 46 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 46 0.40 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 46 0.40 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.71 10.79 -8.15 0 6 0 60 415.339 3 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-5-methyl-7-pyrrolidin-1-yl-triazolo[5,4-d]pyrimidine 3-(2-bromo-4-isopropyl-phenyl)-5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 194 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 194 0.38 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 194 0.38 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.20 9.89 -8.67 0 6 0 60 401.312 3 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N,N-diethyl-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 25 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 25.3 0.43 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 25.3 0.43 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.55 9.81 -8.52 0 6 0 60 403.328 5 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-butyl-N-ethyl-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 8 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 7.5 0.42 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 7.5 0.42 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.61 11.16 -8.24 0 6 0 60 431.382 7 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-butyl-N-ethyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 287 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 287 0.35 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 287 0.35 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.52 11.39 -7.96 0 6 0 60 417.355 7 ↓

Analogs

34571840
34571840

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 11 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 10.5 0.41 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 10.5 0.41 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 8.71 -10.56 0 7 0 69 433.354 7 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N,N-dibutyl-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 33 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 32.5 0.36 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 32.5 0.36 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.67 13.69 -7.88 0 6 0 60 459.436 9 ↓

Analogs

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Popular Name: 2-[[3-(2-bromo-4-isopropyl-phenyl)-5-methyl-triazolo[4,5-e]pyrimidin-7-yl]-(2-hydroxyethyl)amino]eth 2-[[3-(2-bromo-4-isopropyl-pheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 3460 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 3460 0.28 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.53 3.16 -13.71 2 8 0 100 435.326 7 ↓

Analogs

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Popular Name: 2-[[3-(2-bromo-4-isopropyl-phenyl)-5-methyl-triazolo[4,5-e]pyrimidin-7-yl]-(2-methoxyethyl)amino]eth 2-[[3-(2-bromo-4-isopropyl-pheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 64 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 64 0.36 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 64 0.36 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 6.19 -9.36 1 8 0 89 449.353 8 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N,N-bis(2-methoxyethyl)triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 203 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 203 0.33 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 203 0.33 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 8.08 -11.76 0 8 0 78 449.353 9 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methyl-triazolo[4,5-e]pyrimi 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 67 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 66.9 0.33 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 66.9 0.33 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.04 8.84 -11.12 0 8 0 78 477.407 10 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-(2-methoxyethyl)-5-methyl-N-(3-pyridylmethyl)triazolo[4,5-e]pyrimid 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 49 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 48.5 0.32 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 48.5 0.32 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 10.03 -12.91 0 8 0 82 496.413 8 ↓
Lo Low (pH 4.5-6) 3.94 10.31 -42.45 1 8 1 83 497.421 8 ↓

Analogs

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Popular Name: N-allyl-3-(2-bromo-4-isopropyl-phenyl)-N-(2-methoxyethyl)-5-methyl-triazolo[4,5-e]pyrimidin-7-amine N-allyl-3-(2-bromo-4-isopropyl-p…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 4 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 4.3 0.42 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 4.3 0.42 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.43 9.36 -10.3 0 7 0 69 445.365 8 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-(cyclopropylmethyl)-N-(2-methoxyethyl)-5-methyl-triazolo[4,5-e]pyri 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 4.6 0.40 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 4.6 0.40 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.65 10.45 -9.53 0 7 0 69 459.392 8 ↓

Analogs

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Popular Name: N-benzyl-3-(2-bromo-4-isopropyl-phenyl)-N-(2-methoxyethyl)-5-methyl-triazolo[4,5-e]pyrimidin-7-amine N-benzyl-3-(2-bromo-4-isopropyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 5 0.36 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 5 0.36 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.18 11.74 -10.8 0 7 0 69 495.425 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-(2-methoxyethyl)-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 242 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 242 0.37 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 242 0.37 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 8.06 -9.76 1 7 0 78 405.3 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-(3-methoxypropyl)-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 291 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 291 0.35 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 291 0.35 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.81 8.81 -9.57 1 7 0 78 419.327 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-butyl-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 70 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 69.6 0.40 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 69.6 0.40 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.99 10.52 -8.13 1 6 0 69 403.328 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-(1-ethylpropyl)-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 5.2 0.45 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 5.2 0.45 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.30 11.46 -8.25 1 6 0 69 417.355 6 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-cyclopentyl-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 120 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 120 0.37 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 120 0.37 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.95 10.95 -8.19 1 6 0 69 415.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-[(1R)-1-ethylbutyl]-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 3 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 2.8 0.44 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 2.8 0.44 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.86 12.24 -8.21 1 6 0 69 431.382 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-[(1S)-1-ethylbutyl]-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 3 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 2.8 0.44 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 2.8 0.44 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.86 12.26 -8.2 1 6 0 69 431.382 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-[(1R)-1-ethylpentyl]-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 3 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 3.1 0.43 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 3.1 0.43 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.36 13.02 -8.26 1 6 0 69 445.409 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-[(1S)-1-ethylpentyl]-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 3 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 3.1 0.43 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 3.1 0.43 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.36 13.02 -8.23 1 6 0 69 445.409 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-(1-butylpentyl)-5-methyl-triazolo[4,5-e]pyrimidin-7-amine 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 4.5 0.39 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 4.5 0.39 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.43 14.54 -8.13 1 6 0 69 473.463 10 ↓

Analogs

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Popular Name: (2S)-2-[[3-(2-bromo-4-isopropyl-phenyl)-5-methyl-triazolo[4,5-e]pyrimidin-7-yl]amino]butan-1-ol (2S)-2-[[3-(2-bromo-4-isopropyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 25 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 25.3 0.41 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 25.3 0.41 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.79 7.36 -10.28 2 7 0 89 419.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[3-(2-bromo-4-isopropyl-phenyl)-5-methyl-triazolo[4,5-e]pyrimidin-7-yl]amino]butan-1-ol (2R)-2-[[3-(2-bromo-4-isopropyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 25 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 25.3 0.41 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 25.3 0.41 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.79 7.45 -9.74 2 7 0 89 419.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-[(1S)-1-(methoxymethyl)propyl]-5-methyl-triazolo[4,5-e]pyrimidin-7- 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 9 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 6.1 0.43 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 6.1 0.43 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.40 9.77 -9.17 1 7 0 78 433.354 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-[(1R)-1-(methoxymethyl)propyl]-5-methyl-triazolo[4,5-e]pyrimidin-7- 3-(2-bromo-4-isopropyl-phenyl)-N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 9 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 6.1 0.43 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 6.1 0.43 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.40 9.77 -9.17 1 7 0 78 433.354 7 ↓

Parameters Provided:

ring.id = 11419
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 11419 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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