CHEMBL5202222


SMILES COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@]4(C)C(=O)c4ccc(C(F)(F)F)cc4)[C@@H](C2)N(CC2CC2)CC[C@]315
InChIKey XJMKGMFJEWMXQR-PFQPMKHESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 567.3

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
μ OPRM Rat Opioid A pKi 7.29 7.29 7.29 ChEMBL
κ OPRK Human Opioid A pKi 6.46 6.46 6.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 5.76 5.76 5.76 ChEMBL
κ OPRK Human Opioid A pEC50 6.98 6.98 6.98 ChEMBL