UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R,3R)-3-aminocyclopentyl]-3-methyl-triazolo[4,5-b]pyridine-6-carboxamide N-[(1R,3R)-3-aminocyclopentyl]-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) -0.85 0.67 -60.51 4 7 1 100 261.309 2 ↓

Analogs

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Popular Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[4-(triazolo[5,4-b]pyridin-3-yl)phenyl]methanone [4-(furan-2-carbonyl)piperazin-1…

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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) 0.88 7.45 -18.59 0 9 0 97 402.414 3 ↓

Analogs

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Popular Name: N-[(1S)-2-(2-furyl)-1-methyl-ethyl]-3-methyl-4-(triazolo[5,4-b]pyridin-3-yl)benzamide N-[(1S)-2-(2-furyl)-1-methyl-eth…

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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 8.54 -18.57 1 7 0 86 361.405 5 ↓

Analogs

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Popular Name: N-[(1R)-2-(2-furyl)-1-methyl-ethyl]-3-methyl-4-(triazolo[5,4-b]pyridin-3-yl)benzamide N-[(1R)-2-(2-furyl)-1-methyl-eth…

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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 8.28 -20.01 1 7 0 86 361.405 5 ↓

Analogs

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Popular Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[3-(triazolo[5,4-b]pyridin-3-yl)phenyl]methanone [4-(furan-2-carbonyl)piperazin-1…

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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) 1.07 7.38 -22.81 0 9 0 97 402.414 3 ↓

Analogs

35482576
35482576
35482577
35482577
35482595
35482595

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Popular Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[4-methyl-3-(triazolo[5,4-b]pyridin-3-yl)phenyl]methanone [4-(furan-2-carbonyl)piperazin-1…

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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) 1.68 8.15 -21.28 0 9 0 97 416.441 3 ↓

Analogs

35482595
35482595

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Popular Name: N-[2-(2-furylmethyl-phenethyl-amino)ethyl]-2-methyl-3-(triazolo[5,4-b]pyridin-3-yl)benzamide N-[2-(2-furylmethyl-phenethyl-am…

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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) 3.98 10.94 -23.1 1 8 0 89 480.572 10 ↓
Lo Low (pH 4.5-6) 3.98 13.17 -63.86 2 8 1 90 481.58 10 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N-butyl-N-ethyl-5-methyl-triazolo[5,4-b]pyridin-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 3.2 0.44 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 3.2 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) 6.48 11.68 -11.46 0 5 0 47 430.394 7 ↓

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-N,N-bis(2-methoxyethyl)-5-methyl-triazolo[5,4-b]pyridin-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 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 4.7 0.40 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 4.7 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) 4.63 8.34 -16.88 0 7 0 65 462.392 9 ↓

Analogs

34042749
34042749

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Popular Name: N-butyl-N-ethyl-3-(4-isopropyl-2-methylsulfanyl-phenyl)-5-methyl-triazolo[5,4-b]pyridin-7-amine N-butyl-N-ethyl-3-(4-isopropyl-2…

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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 2 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 2.2 0.43 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 2.2 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) 6.10 12.07 -12.92 0 5 0 47 397.592 8 ↓

Analogs

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Popular Name: N-butyl-N-ethyl-3-(4-isopropyl-2-methylsulfonyl-phenyl)-5-methyl-triazolo[5,4-b]pyridin-7-amine N-butyl-N-ethyl-3-(4-isopropyl-2…

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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 83 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 83 0.33 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 83 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) 4.97 9.03 -17.18 0 7 0 81 429.59 8 ↓

Analogs

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Popular Name: 3-(4-isopropyl-2-methylsulfanyl-phenyl)-N,N-bis(2-methoxyethyl)-5-methyl-triazolo[5,4-b]pyridin-7-am 3-(4-isopropyl-2-methylsulfanyl-…

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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 4.7 0.39 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 4.7 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) 4.26 8.71 -18.26 0 7 0 65 429.59 10 ↓

Analogs

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Popular Name: 3-(4-isopropyl-2-methylsulfonyl-phenyl)-N,N-bis(2-methoxyethyl)-5-methyl-triazolo[5,4-b]pyridin-7-am 3-(4-isopropyl-2-methylsulfonyl-…

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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 476 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 476 0.28 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 476 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) 3.13 5.69 -22.45 0 9 0 99 461.588 10 ↓

Analogs

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Popular Name: 3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxylic acid 3-methyl-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) 0.01 2.69 -40.45 0 6 -1 84 177.143 1 ↓

Analogs

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Popular Name: 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]triazolo[4,5-b]pyridine-6-carboxamide 3-methyl-N-[[2-(4-methylpiperazi…

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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) 0.08 6.12 -45.32 2 9 1 93 367.437 4 ↓
Hi High (pH 8-9.5) 0.08 3.75 -13.13 1 9 0 92 366.429 4 ↓
Mid Mid (pH 6-8) 0.08 6.42 -109 3 9 2 95 368.445 4 ↓

Analogs

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Popular Name: (3-methyltriazolo[4,5-b]pyridin-6-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)-1-piperidyl]methanone (3-methyltriazolo[4,5-b]pyridin-…

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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) 1.75 7.47 -13.25 1 8 0 93 387.447 3 ↓

Analogs

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Popular Name: (3-methyltriazolo[4,5-b]pyridin-6-yl)-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)-1-piperidyl]methanone (3-methyltriazolo[4,5-b]pyridin-…

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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) 1.75 7.47 -12.18 1 8 0 93 387.447 3 ↓

Analogs

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Popular Name: (2S,4S)-4-amino-N,N-diethyl-1-(3-methyltriazolo[4,5-b]pyridine-6-carbonyl)pyrrolidine-2-carboxamide (2S,4S)-4-amino-N,N-diethyl-1-(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) -1.51 2.46 -75.7 3 9 1 112 346.415 4 ↓
Hi High (pH 8-9.5) -1.51 2.18 -17.59 2 9 0 110 345.407 4 ↓

Analogs

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Popular Name: 3-methyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]triazolo[4,5-b]pyridine-6-carboxamide 3-methyl-N-[4-(1,2,4-triazol-4-y…

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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) -0.30 6.82 -22.04 1 9 0 103 326.364 3 ↓

Parameters Provided:

ring.id = 37499
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 = 37499 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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