CHEMBL2112903


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 554.3

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 pKd 8.9 8.9 8.9 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.1 8.1 8.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pIC50 6.43 6.43 6.43 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pIC50 6.24 6.24 6.24 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pIC50 8.05 8.05 8.05 ChEMBL