CHEMBL217102


SMILES O=C1CC[C@@]2(NCCCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey FHAIOTGQHWJDDS-ZBBWKFRYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 506.2

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 8.66 8.66 8.66 ChEMBL
κ OPRK Human Opioid A pKi 8.28 8.28 8.28 ChEMBL
μ OPRM Human Opioid A pKi 9.02 9.02 9.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 9.17 9.17 9.17 ChEMBL
κ OPRK Human Opioid A pIC50 9.36 9.36 9.36 ChEMBL
μ OPRM Human Opioid A pIC50 9.54 9.54 9.54 ChEMBL