tolvaptan


SMILES Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C
InChIKey GYHCTFXIZSNGJT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 448.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Human Vasopressin and oxytocin A pKi 7.9 7.9 7.9 Guide to Pharmacology
V2 V2R Human Vasopressin and oxytocin A pKi 9.37 9.37 9.37 Guide to Pharmacology
V1A V1AR Rat Vasopressin and oxytocin A pKi 6.5 6.5 6.5 Guide to Pharmacology
V2 V2R Rat Vasopressin and oxytocin A pKi 8.9 8.9 8.9 Guide to Pharmacology
V2 V2R Human Vasopressin and oxytocin A pKi 8.62 8.95 9.37 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.53 7.18 7.5 ChEMBL
H1 HRH1 Human Histamine A pKi 5.17 5.17 5.17 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.31 5.31 5.31 ChEMBL
μ OPRM Human Opioid A pKi 6.39 6.39 6.39 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 8.1 8.1 8.1 Drug Central
V2 V2R Human Vasopressin and oxytocin A pKi 8.05 8.05 8.05 Drug Central
V1A V1AR Rat Vasopressin and oxytocin A pKi 8.19 8.19 8.19 Drug Central
V2 V2R Rat Vasopressin and oxytocin A pKi 8.05 8.05 8.05 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pIC50 7.95 8.15 8.35 ChEMBL
GPR119 GP119 Human GPR18, GPR55 and GPR119 A pEC50 5.4 5.4 5.4 ChEMBL
FFA4 FFAR4 Human Free fatty acid A pEC50 5.29 5.29 5.29 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 6.33 6.33 6.33 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 5.47 5.47 5.47 ChEMBL
GLP-1 GLP1R Human Glucagon B1 pEC50 5.33 5.33 5.33 ChEMBL