CHEMBL1817698


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O
InChIKey BYKYVVSYLHQIBL-PFCVTPPASA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 13
Rotatable bonds 20
Molecular weight (Da) 1035.5

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pEC50 8.56 8.57 8.57 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pEC50 7.71 7.71 7.72 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pEC50 8.68 8.68 8.68 ChEMBL