CHEMBL2112896


SMILES Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(C)C)C3(C)C)CC1
InChIKey YRBWUCJBVSLYTK-SVYKIPJPSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 582.3

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 pKd 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pIC50 6.44 6.44 6.44 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pIC50 6.54 6.54 6.54 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pIC50 8.31 8.31 8.31 ChEMBL