CHEMBL4238289


SMILES COc1ccc(C(=O)[C@@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1
InChIKey KBXAUUMMWQQIIR-JAPCRPDMSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 529.3

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 6.91 6.91 6.91 ChEMBL
κ OPRK Human Opioid A pKi 7.31 7.31 7.31 ChEMBL
μ OPRM Human Opioid A pKi 7.41 7.41 7.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 6.84 6.84 6.84 ChEMBL
κ OPRK Human Opioid A pEC50 7.18 7.18 7.18 ChEMBL