CHEMBL1643590


SMILES COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCc4ccoc4)cc3)n2)C2CCCC2)cc1
InChIKey IJLFSDUMPYNLFI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 537.2

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 6.4 6.4 6.4 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 4.7 4.7 4.7 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.2 5.2 5.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database