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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: (2R)-2-amino-4-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]pentan-1-one (2R)-2-amino-4-methyl-1-[4-(3-py…

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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 7.03 -98.54 4 7 2 87 373.501 6 ↓
Hi High (pH 8-9.5) 0.48 6.25 -17.64 2 7 0 84 371.485 6 ↓
Hi High (pH 8-9.5) 0.48 6.58 -57.6 3 7 1 86 372.493 6 ↓

Analogs

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Popular Name: (2S)-2-amino-4-methyl-1-[4-(3-pyrrolo[2,3-c]pyridin-1-ylpropanoyl)piperazin-1-yl]pentan-1-one (2S)-2-amino-4-methyl-1-[4-(3-py…

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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 7.03 -96.46 4 7 2 87 373.501 6 ↓
Hi High (pH 8-9.5) 0.48 6.29 -14.91 2 7 0 84 371.485 6 ↓
Hi High (pH 8-9.5) 0.48 6.58 -57.31 3 7 1 86 372.493 6 ↓

Analogs

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Popular Name: 2-[3-(dimethylaminomethyl)-7-(2-thienyl)pyrrolo[2,3-c]pyridin-1-yl]-N-isopropyl-acetamide 2-[3-(dimethylaminomethyl)-7-(2-…

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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 9.19 -91.16 3 5 2 53 358.511 6 ↓
Hi High (pH 8-9.5) 2.10 6.26 -15.71 1 5 0 50 356.495 6 ↓
Mid Mid (pH 6-8) 2.10 8.79 -48.75 2 5 1 51 357.503 6 ↓

Analogs

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Popular Name: 1-methyl-N-(m-tolylmethyl)pyrrolo[2,3-c]pyridine-2-carboxamide 1-methyl-N-(m-tolylmethyl)pyrrol…

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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) 2.39 7.51 -37.05 2 4 1 48 280.351 3 ↓
Mid Mid (pH 6-8) 2.39 7.06 -8.5 1 4 0 47 279.343 3 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(3-fluorophenyl)methyl]-1-met…

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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 6.94 -38.38 2 4 1 48 284.314 3 ↓
Mid Mid (pH 6-8) 2.10 6.48 -9.69 1 4 0 47 283.306 3 ↓

Analogs

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Popular Name: N-benzyl-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-benzyl-1-methyl-pyrrolo[2,3-c]…

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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) 1.96 6.87 -36.89 2 4 1 48 266.324 3 ↓
Mid Mid (pH 6-8) 1.96 6.41 -8.49 1 4 0 47 265.316 3 ↓

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(4-chlorophenyl)methyl]-1-met…

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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) 2.64 7.4 -37.79 2 4 1 48 300.769 3 ↓
Mid Mid (pH 6-8) 2.64 6.93 -8.86 1 4 0 47 299.761 3 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(4-fluorophenyl)methyl]-1-met…

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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 6.94 -38.37 2 4 1 48 284.314 3 ↓
Mid Mid (pH 6-8) 2.13 6.48 -9.4 1 4 0 47 283.306 3 ↓

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(2-fluorophenyl)methyl]-1-met…

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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) 2.08 6.9 -37.93 2 4 1 48 284.314 3 ↓
Mid Mid (pH 6-8) 2.08 6.43 -9.96 1 4 0 47 283.306 3 ↓

Analogs

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Popular Name: 1-methyl-N-(o-tolylmethyl)pyrrolo[2,3-c]pyridine-2-carboxamide 1-methyl-N-(o-tolylmethyl)pyrrol…

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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) 2.36 7.64 -37 2 4 1 48 280.351 3 ↓
Mid Mid (pH 6-8) 2.36 7.18 -8.36 1 4 0 47 279.343 3 ↓

Analogs

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Popular Name: 1-methyl-N-(p-tolylmethyl)pyrrolo[2,3-c]pyridine-2-carboxamide 1-methyl-N-(p-tolylmethyl)pyrrol…

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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) 2.41 7.52 -37.06 2 4 1 48 280.351 3 ↓
Mid Mid (pH 6-8) 2.41 7.07 -8.52 1 4 0 47 279.343 3 ↓

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(3-chlorophenyl)methyl]-1-met…

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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) 2.62 7.39 -37.69 2 4 1 48 300.769 3 ↓
Mid Mid (pH 6-8) 2.62 6.92 -9.07 1 4 0 47 299.761 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-1-methyl-pyrrolo[2,3-c]pyridine-2-carboxamide N-[(2-chlorophenyl)methyl]-1-met…

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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) 2.59 7.29 -37.13 2 4 1 48 300.769 3 ↓
Mid Mid (pH 6-8) 2.59 6.82 -9.18 1 4 0 47 299.761 3 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-N-hydroxy-3-(3-hydroxypropyl)-N-methyl-pyrrolo[2,3-c]pyridine-5-carboxami 1-[(4-fluorophenyl)methyl]-N-hyd…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 41 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 41 0.40 Functional ≤ 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) 2.46 6.04 -17.54 2 6 0 79 357.385 6 ↓
Hi High (pH 8-9.5) 2.46 6.38 -62.33 1 6 -1 81 356.377 6 ↓
Mid Mid (pH 6-8) 2.46 5.93 -19.22 3 6 0 80 358.393 6 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-(3-morpholinopropyl)pyrrolo[2,3-c]pyridine-5-carboxa 1-[(4-fluorophenyl)methyl]-N-hyd…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 470 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 470 0.29 Functional ≤ 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) 2.97 7.88 -16.89 1 7 0 71 426.492 7 ↓
Hi High (pH 8-9.5) 2.97 8.22 -61.23 0 7 -1 74 425.484 7 ↓
Mid Mid (pH 6-8) 2.97 10.02 -56.19 3 7 0 73 428.508 7 ↓

Analogs

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Popular Name: 5-Bromo-7-chloro-3-iodo-1H-pyrrolo[2,3-c]pyridine 5-Bromo-7-chloro-3-iodo-1H-pyrro…

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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) 4.03 4.79 -5.56 1 2 0 29 357.376 0 ↓

Analogs

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Popular Name: 5-Bromo-7-chloro-3-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridine 5-Bromo-7-chloro-3-iodo-1-(pheny…

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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) 5.00 6.99 -8.03 0 4 0 52 497.539 2 ↓

Analogs

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Popular Name: 5-Bromo-7-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridine 5-Bromo-7-chloro-1-(phenylsulfon…

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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) 3.99 5.89 -11.52 0 4 0 52 371.643 2 ↓

Analogs

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Popular Name: 5-chloro-1H-pyrrolo[2,3-c]pyridine-3-carbonitrile 5-chloro-1H-pyrrolo[2,3-c]pyridi…

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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) 1.77 3.66 -12.76 1 3 0 52 177.594 0 ↓

Analogs

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Popular Name: Methyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate Methyl 1H-pyrrolo[2,3-c]pyridine…

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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) 1.14 3.76 -37.74 2 4 1 56 177.183 2 ↓
Mid Mid (pH 6-8) 1.14 3.3 -6.73 1 4 0 55 176.175 2 ↓

Analogs

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Popular Name: 1H-pyrrolo[2,3-c]pyridin-7-amine 1H-pyrrolo[2,3-c]pyridin-7-amine

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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) 0.67 2.01 -28.56 4 3 1 56 134.162 0 ↓
Hi High (pH 8-9.5) 0.67 1.52 -7.88 3 3 0 55 133.154 0 ↓

Analogs

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Popular Name: 2-(1H-pyrrolo[2,3-c]pyridin-7-yl)acetonitrile 2-(1H-pyrrolo[2,3-c]pyridin-7-yl…

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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 4.25 -38.57 2 3 1 54 158.184 1 ↓
Mid Mid (pH 6-8) 1.27 3.84 -11.1 1 3 0 52 157.176 1 ↓

Analogs

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Popular Name: 2-(1H-pyrrolo[2,3-c]pyridin-7-yl)acetic 2-(1H-pyrrolo[2,3-c]pyridin-7-yl…

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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) 0.73 4.39 -37.8 2 4 0 70 176.175 2 ↓
Hi High (pH 8-9.5) 0.73 3.99 -51.09 1 4 -1 69 175.167 2 ↓

Analogs

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Popular Name: 2,3-dimethyl-7-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one 2,3-dimethyl-7-(1H-pyrrolo[2,3-c…

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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) 1.23 5.91 -39.61 2 6 1 68 324.408 2 ↓
Hi High (pH 8-9.5) 1.23 5.98 -15.32 1 6 0 67 323.4 2 ↓
Lo Low (pH 4.5-6) 1.23 7.93 -111.57 3 6 2 69 325.416 2 ↓

Parameters Provided:

ring.id = 49475
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 49475 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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