CHEMBL221436


SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey KEBRFHAVFOSSOX-CDKUOFBKSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 13
Rotatable bonds 17
Molecular weight (Da) 1039.4

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
V1B V1BR Rat Vasopressin and oxytocin A pKi 9.6 9.6 9.6 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 7.22 7.22 7.22 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 9.52 9.52 9.52 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 6.08 6.08 6.08 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 9.54 9.54 9.54 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 8.92 8.92 8.92 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.94 7.94 7.94 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.87 6.87 6.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database