CHEMBL4458988


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIKey USOUCAKARMOVTN-JSRVRBLWSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 12
Rotatable bonds 20
Molecular weight (Da) 1056.5

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
OT OXYR Human Vasopressin and oxytocin A pKi 9.05 9.05 9.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Human Vasopressin and oxytocin A pEC50 9.1 9.1 9.1 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 10.05 10.05 10.05 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pEC50 8.4 8.4 8.4 ChEMBL