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 8.94 9.37 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.53 7.02 7.5 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 5.0 5.0 5.0 PDSP Ki database
V2 V2R Human Vasopressin and oxytocin A pKi 9.37 9.45 9.52 PDSP Ki database
V1A V1AR Rat Vasopressin and oxytocin A pKi 6.49 6.49 6.49 PDSP Ki database
V2 V2R Rat Vasopressin and oxytocin A pKi 8.88 8.88 8.88 PDSP Ki database
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
V1A V1AR Human Vasopressin and oxytocin A pKi 7.91 7.91 7.91 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pIC50 7.95 7.95 7.95 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 6.33 6.33 6.33 ChEMBL