CHEMBL2113296


SMILES COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4Cl)[C@@H](C2)N(C)CC[C@]315
InChIKey MZOINCAZOJZJFT-QVUVTZRVSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 534.2

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 7.03 7.03 7.03 ChEMBL
κ OPRK Human Opioid A pKi 7.65 7.65 7.65 ChEMBL
μ OPRM Human Opioid A pKi 9.2 9.2 9.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.25 7.25 7.25 ChEMBL
μ OPRM Human Opioid A pEC50 6.97 7.47 7.97 ChEMBL