CHEMBL4113058


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CNCc1ccccc1)C2
InChIKey PGANIOBIXBHMAK-BUVWRSTLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 500.3

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 6.31 6.31 6.31 ChEMBL
κ OPRK Human Opioid A pKi 10.4 10.4 10.4 ChEMBL
μ OPRM Human Opioid A pKi 8.04 8.04 8.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.28 6.28 6.28 ChEMBL
κ OPRK Human Opioid A pEC50 8.07 8.07 8.07 ChEMBL
μ OPRM Human Opioid A pEC50 7.3 7.3 7.3 ChEMBL