CHEMBL4128853


SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey VVZPRTIRPLMIAE-RQBKSZSXSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 10
Rotatable bonds 12
Molecular weight (Da) 1080.5

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
δ OPRD Human Opioid A pKi 8.7 8.71 8.72 ChEMBL
κ OPRK Human Opioid A pKi 8.25 8.25 8.25 ChEMBL
μ OPRM Human Opioid A pKi 8.54 8.54 8.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.57 6.57 6.57 ChEMBL
κ OPRK Human Opioid A pEC50 6.57 6.57 6.57 ChEMBL
μ OPRM Human Opioid A pEC50 6.72 6.72 6.72 ChEMBL