Chembl2113309


SMILES COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC/C=C/c4ccccc4)[C@@H](C2)N(C)CC[C@]315
InChIKey JLGLWPIHBBGNAU-WOYXWXRWSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 486.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 6.4 6.4 6.4 ChEMBL
κ OPRK Human Opioid A pKi 7.58 7.58 7.58 ChEMBL
κ OPRK Human Opioid A pEC50 6.97 6.97 6.97 ChEMBL
μ OPRM Human Opioid A pKi 7.95 7.95 7.95 ChEMBL
μ OPRM Human Opioid A pEC50 6.86 6.86 6.86 ChEMBL