UCSF

ZINC01490477

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 32 Yes

Popular Name: Tolvaptan Tolvaptan

Find On: PubMed — Wikipedia — Google

CAS Number: 150683-30-0

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) 4.94 10.9 -11.46 2 5 0 70 448.95 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Target Estrogen/progestogen Receptor Selleck Chemicals
Indications hyponatremia KeyOrganics Bioactives

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 1 0.39 Binding ≤ 10μM
V2R-1-E Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 0.79 0.40 Binding ≤ 1μM
V2R_HUMAN P30518 Vasopressin V2 Receptor, Human 0.43 0.41 Binding ≤ 1μM
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 0.79 0.40 Binding ≤ 10μM
V2R_HUMAN P30518 Vasopressin V2 Receptor, Human 0.43 0.41 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% )