UCSF

ZINC06071859

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 32 Yes

Popular Name: Mozavaptan Mozavaptan

Find On: PubMed — Wikipedia — Google

CAS Numbers: 137975-06-5 , 138470-70-9 , [137975-06-5] , [138470-70-9]

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) 4.71 2.46 -55.15 2 5 1 53 428.556 4 ↓

Vendor Notes

Note Type Comments Provided By
Target Others Selleck Chemicals

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 2000 0.25 Binding ≤ 10μM
V1BR-1-E Vasopressin V1b Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.23 Binding ≤ 10μM
V2R-1-E Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
V2R_RAT Q00788 Vasopressin V2 Receptor, Rat 12 0.35 Binding ≤ 1μM
V2R_HUMAN P30518 Vasopressin V2 Receptor, Human 500 0.28 Binding ≤ 1μM
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 2000 0.25 Binding ≤ 10μM
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 1400 0.26 Binding ≤ 10μM
V1BR_RAT P48974 Vasopressin V1b Receptor, Rat 5000 0.23 Binding ≤ 10μM
V1BR_HUMAN P47901 Vasopressin V1b Receptor, Human 2000 0.25 Binding ≤ 10μM
V2R_HUMAN P30518 Vasopressin V2 Receptor, Human 500 0.28 Binding ≤ 10μM
V2R_RAT Q00788 Vasopressin V2 Receptor, Rat 12 0.35 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% )

No pre-computed analogs available. Try a structural similarity search.