CHEMBL4107681


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(NCC(=O)O)c1)C2
InChIKey GYODLKSSDRIOEM-FBPOBTEMSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 574.3

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 6.92 6.92 6.92 ChEMBL
κ OPRK Human Opioid A pKi 8.01 8.01 8.01 ChEMBL
μ OPRM Human Opioid A pKi 7.08 7.08 7.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.34 7.34 7.34 ChEMBL
κ OPRK Human Opioid A pEC50 6.89 6.89 6.89 ChEMBL