CHEMBL80877


SMILES NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N1
InChIKey XZDZYGSNLJCRQP-YZNZALTISA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 12
Rotatable bonds 16
Molecular weight (Da) 997.4

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 7.64 7.64 7.64 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.25 6.25 6.25 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 6.26 6.26 6.26 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.56 6.56 6.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database