UCSF

ZINC13757984

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 33 Yes

Popular Name: 2-methyl-N-[4-[(5R)-5-propylamino2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide 2-methyl-N-[4-[(5R)-5-propylamin…

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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) 4.44 13.7 -37.17 3 5 1 66 442.583 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
V1AR-1-E Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 890 0.26 Binding ≤ 10μM
V2R-1-E Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 890 0.26 Binding ≤ 1μM
V2R_RAT Q00788 Vasopressin V2 Receptor, Rat 50 0.31 Binding ≤ 1μM
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 890 0.26 Binding ≤ 10μM
V2R_RAT Q00788 Vasopressin V2 Receptor, Rat 50 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
G alpha (s) signalling events
Vasopressin regulates renal water homeostasis via Aquaporins
Vasopressin-like receptors

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