CHEMBL377414


SMILES CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F
InChIKey KUYYTTWJIWYFTJ-WXFUMESZSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 483.2

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 8.0 8.0 8.0 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.8 9.37 10.1 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 6.5 6.95 7.4 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.2 6.2 6.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pIC50 8.43 8.43 8.43 ChEMBL