CHEMBL583081


SMILES COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3cccs3)CC2)c(OC)c1
InChIKey NECPFYMUAUYSCZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 619.2

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 7.64 7.64 7.64 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 7.18 7.18 7.18 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.14 6.14 6.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database