CHEMBL2113300


SMILES COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4[N+](=O)[O-])[C@@H](C2)N(C)CC[C@]315
InChIKey FMABZRUGTFUOAV-QVUVTZRVSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 545.3

Drug properties

Molecular type Small molecule
Endogenous/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 6.96 6.96 6.96 ChEMBL
κ OPRK Human Opioid A pKi 7.53 7.53 7.53 ChEMBL
μ OPRM Human Opioid A pKi 8.53 8.53 8.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.54 6.54 6.54 ChEMBL
μ OPRM Human Opioid A pEC50 6.67 7.25 7.84 ChEMBL