CHEMBL4111244


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(OCC(=O)O)cc1)C2
InChIKey JIFMUYWMRPKHID-FBPOBTEMSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 575.3

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 6.45 6.45 6.45 ChEMBL
κ OPRK Human Opioid A pKi 7.5 7.5 7.5 ChEMBL
μ OPRM Human Opioid A pKi 6.26 6.26 6.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.4 6.4 6.4 ChEMBL
κ OPRK Human Opioid A pEC50 6.7 6.7 6.7 ChEMBL