CHEMBL4108017


SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey WMVWSQOJKZZWCI-VTPACTEHSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 489.3

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
κ OPRK Human Opioid A pKi 10.7 10.7 10.7 ChEMBL
μ OPRM Human Opioid A pKi 7.76 7.76 7.76 ChEMBL
δ OPRD Human Opioid A pKi 6.71 6.71 6.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.82 8.82 8.82 ChEMBL
μ OPRM Human Opioid A pEC50 7.94 7.94 7.94 ChEMBL
δ OPRD Human Opioid A pEC50 7.18 7.18 7.18 ChEMBL