CHEMBL1643591


SMILES COc1ccc(CNCc2ccc(-c3nc(CN(C4CCCC4)S(=O)(=O)c4ccc(OC)cc4)cs3)cc2)cc1
InChIKey YPQMJUGTEBCYES-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 577.2

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 Human Vasopressin and oxytocin A pKi 5.6 5.6 5.6 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 4.3 4.3 4.3 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 4.4 4.4 4.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database