CHEMBL2419125


SMILES Cc1nc(C(=O)N[C@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc2ccccc12
InChIKey PMAXWGAUDDWHOX-UMRDZTPJSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 511.2

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 7.54 7.54 7.54 ChEMBL
μ OPRM Mouse Opioid A pKi 8.68 8.68 8.68 ChEMBL
δ OPRD Mouse Opioid A pKi 6.93 6.93 6.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pEC50 8.14 8.14 8.14 ChEMBL