CHEMBL1198702


SMILES O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Br)cc1
InChIKey XEQUQWJVHIEWQA-XGTKUTNFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 524.1

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 9.54 9.54 9.54 ChEMBL
μ OPRM Human Opioid A pKi 9.06 9.06 9.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 7.03 7.03 7.03 ChEMBL
δ OPRD Human Opioid A pEC50 7.18 8.44 9.7 ChEMBL
κ OPRK Human Opioid A pEC50 10.0 10.0 10.0 ChEMBL
μ OPRM Human Opioid A pEC50 8.35 8.35 8.35 ChEMBL