CHEMBL3229634


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(CC)(CC)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIKey ORCMOWGQBHLIHI-IHJZLXGESA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 11
Rotatable bonds 19
Molecular weight (Da) 1047.5

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
OT OXYR Rat Vasopressin and oxytocin A pKd 6.82 7.19 7.55 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKd 7.24 7.24 7.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database