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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(4-amino-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-7-yl)-6-fluoro-benzonitrile 2-(4-amino-5,6-dimethyl-pyrrolo[…

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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) 2.13 9.22 -15.7 2 5 0 81 281.294 1 ↓
Mid Mid (pH 6-8) 2.13 9.69 -33.76 3 5 1 82 282.302 1 ↓

Analogs

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Popular Name: 7-(4-dimethylaminophenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-(4-dimethylaminophenyl)-5,6-di…

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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) 2.20 8.92 -10.45 2 5 0 60 281.363 2 ↓
Mid Mid (pH 6-8) 2.20 9.39 -25.77 3 5 1 61 282.371 2 ↓

Analogs

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Popular Name: 7-(5-bromo-2-fluoro-phenyl)-2,5,6-trimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-(5-bromo-2-fluoro-phenyl)-2,5,…

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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) 3.51 9.35 -11.15 2 4 0 57 349.207 1 ↓
Mid Mid (pH 6-8) 3.51 9.77 -23.8 3 4 1 58 350.215 1 ↓

Analogs

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Popular Name: 7-(5-bromo-2-fluoro-phenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-(5-bromo-2-fluoro-phenyl)-5,6-…

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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 9.38 -10.49 2 4 0 57 335.18 1 ↓
Mid Mid (pH 6-8) 3.42 9.84 -26.84 3 4 1 58 336.188 1 ↓

Analogs

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Popular Name: (2S)-2-[[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-e]pyrimidin-4-yl]amino]butan-1-ol (2S)-2-[[2,5,6-trimethyl-7-(2,4,…

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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 27 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 27.3 0.39 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 27.3 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) 4.42 11.36 -10.32 2 5 0 63 366.509 5 ↓

Analogs

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Popular Name: (2R)-2-[[2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-e]pyrimidin-4-yl]amino]butan-1-ol (2R)-2-[[2,5,6-trimethyl-7-(2,4,…

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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 27 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 27.3 0.39 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 27.3 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) 4.42 11.74 -21.45 3 5 1 64 367.517 5 ↓

Analogs

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Popular Name: N-butyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-e]pyrimidin-4-amine N-butyl-2,5,6-trimethyl-7-(2,4,6…

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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 29 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 29 0.41 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 29 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) 5.62 14.39 -9.94 1 4 0 43 350.51 5 ↓

Analogs

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Popular Name: N,N-bis(2-methoxyethyl)-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-e]pyrimidin-4-amine N,N-bis(2-methoxyethyl)-2,5,6-tr…

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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 7 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 7.1 0.38 Binding ≤ 1μM
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 7.1 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) 4.40 12.21 -9.6 0 6 0 52 410.562 8 ↓

Analogs

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Popular Name: 5,6-dimethyl-7-(4-propylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-(4-propylphenyl)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) 3.40 10.76 -9.58 2 4 0 57 280.375 3 ↓
Mid Mid (pH 6-8) 3.40 11.23 -25.64 3 4 1 58 281.383 3 ↓

Analogs

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Popular Name: 7-(3-fluoro-4-methoxy-phenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-(3-fluoro-4-methoxy-phenyl)-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) 2.46 7.91 -12.48 2 5 0 66 286.31 2 ↓
Mid Mid (pH 6-8) 2.46 8.37 -29.59 3 5 1 67 287.318 2 ↓

Analogs

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Popular Name: 7-[3-(methoxymethyl)phenyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[3-(methoxymethyl)phenyl]-5,6-…

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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) 2.24 8.26 -11.28 2 5 0 66 282.347 3 ↓
Mid Mid (pH 6-8) 2.24 8.73 -27.28 3 5 1 67 283.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[2-(methoxymethyl)phenyl]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-[2-(methoxymethyl)phenyl]-5,6-…

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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) 2.22 8.71 -10.28 2 5 0 66 282.347 3 ↓
Mid Mid (pH 6-8) 2.22 9.18 -26.52 3 5 1 67 283.355 3 ↓

Analogs

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Popular Name: 7-(4-methoxy-3-methyl-phenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-(4-methoxy-3-methyl-phenyl)-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) 2.74 8.58 -10.51 2 5 0 66 282.347 2 ↓
Mid Mid (pH 6-8) 2.74 9.04 -26.97 3 5 1 67 283.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-7-(2-propylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine 5,6-dimethyl-7-(2-propylphenyl)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) 3.57 10.84 -9.11 2 4 0 57 280.375 3 ↓
Mid Mid (pH 6-8) 3.57 11.3 -25.05 3 4 1 58 281.383 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(3-ethoxyphenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-(3-ethoxyphenyl)-5,6-dimethyl-…

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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) 2.72 8.82 -12.39 2 5 0 66 282.347 3 ↓
Mid Mid (pH 6-8) 2.72 9.29 -26.13 3 5 1 67 283.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(5-bromo-2-methoxy-phenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-(5-bromo-2-methoxy-phenyl)-5,6…

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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) 3.32 8.65 -11.52 2 5 0 66 347.216 2 ↓
Mid Mid (pH 6-8) 3.32 9.12 -26.46 3 5 1 67 348.224 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4-fluoro-2-methoxy-phenyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine 7-(4-fluoro-2-methoxy-phenyl)-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) 2.46 8.11 -10.71 2 5 0 66 286.31 2 ↓
Mid Mid (pH 6-8) 2.46 8.58 -27.19 3 5 1 67 287.318 2 ↓

Parameters Provided:

ring.id = 76795
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 = 76795 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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