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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

25923078
25923078

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine 2,3-dihydro-1H-pyrrolo[2,3-b]pyr…

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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) 0.89 3.13 -26.56 2 2 1 26 121.163 0 ↓
Hi High (pH 8-9.5) 0.32 2.37 -65.73 6 8 0 146 433.53 11 ↓

Analogs

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Popular Name: 4-iodo-1-(4-methoxy-2-methyl-phenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine 4-iodo-1-(4-methoxy-2-methyl-phe…

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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) 4.71 10.28 -6.27 0 3 0 25 380.229 2 ↓
Mid Mid (pH 6-8) 4.71 10.68 -24.74 1 3 1 27 381.237 2 ↓

Analogs

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Popular Name: (3S)-5-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (3S)-5-bromo-3-methyl-2,3-dihydr…

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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) 2.17 4.06 -4.33 1 2 0 25 213.078 0 ↓
Lo Low (pH 4.5-6) 2.17 4.49 -27.2 2 2 1 26 214.086 0 ↓

Analogs

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Popular Name: (3R)-5-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (3R)-5-bromo-3-methyl-2,3-dihydr…

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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) 2.17 4.06 -4.33 1 2 0 25 213.078 0 ↓
Lo Low (pH 4.5-6) 2.17 4.49 -27.2 2 2 1 26 214.086 0 ↓

Analogs

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Popular Name: 5-(2-phenylethynyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine 5-(2-phenylethynyl)-2,3-dihydro-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM5-1-E Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic Eukaryotes 16 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 15.8 0.64 Binding ≤ 1μM
GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 15.8 0.64 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) 2.30 8.06 -7.37 1 2 0 25 220.275 0 ↓
Mid Mid (pH 6-8) 2.30 8.49 -29.88 2 2 1 26 221.283 0 ↓

Analogs

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Popular Name: 2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[2-(2-furyl)-4-quinolyl]methanone 2,3-dihydropyrrolo[2,3-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) 3.44 10.43 -14.44 0 5 0 59 341.37 2 ↓
Lo Low (pH 4.5-6) 3.44 10.3 -34.92 1 5 1 60 342.378 2 ↓

Parameters Provided:

ring.id = 229274
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 = 229274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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