CHEMBL572835


SMILES COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC(C)c3ccccc3)CC2)c(OC)c1
InChIKey XBCRFHORBHXYPU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 627.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Rat Vasopressin and oxytocin A pKi 6.0 6.0 6.0 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 6.14 6.14 6.14 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.32 5.32 5.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database