CHEMBL1643589


SMILES COc1ccc(S(=O)(=O)N(Cc2csc(-c3ccc(CNCC4CCCCC4)cc3)n2)C2CCCC2)cc1
InChIKey LJDVQUIEOMPMNW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 553.2

Drug properties

Molecular type Small molecule
Physiological/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 6.5 6.5 6.5 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 5.2 5.2 5.2 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.5 5.5 5.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database