CHEMBL2419121


SMILES COc1c(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)nc(Cl)c2ccccc12
InChIKey POSDXXHDYYVBFA-OZKNTWEWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 561.2

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
κ OPRK Mouse Opioid A pKi 7.65 7.65 7.65 ChEMBL
μ OPRM Mouse Opioid A pKi 9.26 9.26 9.26 ChEMBL
δ OPRD Mouse Opioid A pKi 7.47 7.47 7.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pEC50 7.58 7.58 7.58 ChEMBL
μ OPRM Mouse Opioid A pEC50 8.76 8.76 8.76 ChEMBL
δ OPRD Mouse Opioid A pEC50 7.49 7.49 7.49 ChEMBL
μ OPRM Human Opioid A pIC50 7.62 7.62 7.62 ChEMBL