CHEMBL435323


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-WSFLLCRESA-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
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pKi 6.5 6.5 6.5 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 9.59 9.59 9.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Human Vasopressin and oxytocin A pEC50 7.62 7.62 7.62 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 10.3 10.3 10.3 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 6.46 6.46 6.46 ChEMBL