UCSF

ZINC27083407

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 26 Yes

Popular Name: 3-isopropyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-7-yl]-2-oxo-benzimidazole-1-carboxamide 3-isopropyl-N-[(1R,5S)-9-methyl-…

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Download: MOL2 SDF SMILES Flexibase

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 10.4 -38.03 2 6 1 60 357.478 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT4R-1-E Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 72 0.38 Binding ≤ 10μM
5HT4R-1-E Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT4R_MOUSE P97288 Serotonin 4 (5-HT4) Receptor, Mouse 72 0.38 Binding ≤ 1μM
5HT4R_MOUSE P97288 Serotonin 4 (5-HT4) Receptor, Mouse 72 0.38 Binding ≤ 10μM
5HT4R_RAT Q62758 Serotonin 4 (5-HT4) Receptor, Rat 40.3 0.40 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (s) signalling events
Serotonin receptors

Analogs ( Draw Identity 99% 90% 80% 70% )