CHEMBL4107821


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)CC(C)C)C2
InChIKey RMOUVFCRISRYIQ-UAJHMDHNSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 524.3

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 6.82 6.82 6.82 ChEMBL
μ OPRM Human Opioid A pKi 8.12 8.12 8.12 ChEMBL
κ OPRK Human Opioid A pKi 8.94 8.94 8.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.89 6.89 6.89 ChEMBL
μ OPRM Human Opioid A pEC50 7.01 7.01 7.01 ChEMBL
κ OPRK Human Opioid A pEC50 7.38 7.38 7.38 ChEMBL