CHEMBL4245987


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@](C)(C(=O)c1ccc(-c3ccccc3)cc1)C2
InChIKey GXGBAGBZGRFOKT-DHMMOHEHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 575.3

Drug properties

Molecular type Small molecule
Endogenous/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 6.46 6.46 6.46 ChEMBL
κ OPRK Human Opioid A pKi 6.58 6.58 6.58 ChEMBL
μ OPRM Human Opioid A pKi 6.31 6.31 6.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 6.12 6.12 6.12 ChEMBL
κ OPRK Human Opioid A pEC50 7.06 7.06 7.06 ChEMBL