CHEMBL1765663


SMILES CC(C)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](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey SHVQHDKBUNJSTP-PEAOEFARSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 11
Rotatable bonds 18
Molecular weight (Da) 1026.4

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 Human Vasopressin and oxytocin A pKi 9.28 9.28 9.28 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 7.54 7.54 7.54 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 5.17 5.17 5.17 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.16 7.16 7.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Human Vasopressin and oxytocin A pEC50 8.82 8.82 8.82 ChEMBL