CHEMBL2113310


SMILES COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC/C=C/c4ccc(Cl)cc4)[C@@H](C2)N(C)CC[C@]315
InChIKey LODHFYXTHWDEIJ-QFYDYFOISA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 520.2

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 6.13 6.13 6.13 ChEMBL
κ OPRK Human Opioid A pKi 7.17 7.17 7.17 ChEMBL
μ OPRM Human Opioid A pKi 7.47 7.47 7.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.63 6.63 6.63 ChEMBL
μ OPRM Human Opioid A pEC50 6.83 6.83 6.83 ChEMBL