CHEMBL2113177


SMILES O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)N/N=C1\C(=O)Nc2ccccc21
InChIKey SHUVSCHNMZHWMV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 596.2

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
OT OXYR Rat Vasopressin and oxytocin A pKi 7.6 7.6 7.6 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.15 8.15 8.15 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.24 6.24 6.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pIC50 7.31 7.31 7.31 ChEMBL