CHEMBL4112472


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1c(C)noc1C)C2
InChIKey SUKLBCXGVCYVGS-RRRALXMPSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 520.3

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 6.74 6.74 6.74 ChEMBL
κ OPRK Human Opioid A pKi 9.82 9.82 9.82 ChEMBL
μ OPRM Human Opioid A pKi 7.03 7.03 7.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.64 6.64 6.64 ChEMBL
κ OPRK Human Opioid A pEC50 7.68 7.68 7.68 ChEMBL
μ OPRM Human Opioid A pEC50 6.89 6.89 6.89 ChEMBL