CHEMBL3309507


SMILES CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2=C(CCC(=O)N2Cc2ccccc2)C[C@@]3(O)[C@H]1C5
InChIKey BKWSYTVAXNIJBM-BQRPEJFJSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 444.2

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 9.04 9.04 9.04 ChEMBL
κ OPRK Human Opioid A pKi 8.7 8.7 8.7 ChEMBL
μ OPRM Human Opioid A pKi 9.54 9.54 9.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.52 8.52 8.52 ChEMBL
μ OPRM Human Opioid A pEC50 8.3 8.3 8.3 ChEMBL