CHEMBL1254117


SMILES CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1
InChIKey IMTZHKQCVJWSGI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 492.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Rat Vasopressin and oxytocin A pKi 7.6 8.38 9.17 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 7.85 7.85 7.85 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 5.6 5.6 5.6 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.85 5.85 5.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pIC50 7.52 7.52 7.52 ChEMBL