CHEMBL2179653


SMILES CO[C@@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey QKDLBYSWRHMFOW-NVSKSXHLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 460.2

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 8.79 8.79 8.79 ChEMBL
κ OPRK Human Opioid A pKi 7.55 7.55 7.55 ChEMBL
μ OPRM Human Opioid A pKi 8.1 8.1 8.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.2 6.2 6.2 ChEMBL
μ OPRM Human Opioid A pEC50 6.42 6.42 6.42 ChEMBL