UCSF

ZINC13757941

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 28 Yes

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) 4.75 11.57 -14.45 1 4 0 49 370.452 3

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 95 0.35 Binding ≤ 10μM
V2R-1-E Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 70 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 95 0.35 Binding ≤ 1μM
V2R_RAT Q00788 Vasopressin V2 Receptor, Rat 70 0.36 Binding ≤ 1μM
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 95 0.35 Binding ≤ 10μM
V2R_RAT Q00788 Vasopressin V2 Receptor, Rat 70 0.36 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% )