CHEMBL5206165


SMILES COc1cccc(C(=O)[C@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)c1
InChIKey IAGJTVXIRNIAKP-DTKTUBKVSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 529.3

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
μ OPRM Rat Opioid A pKi 6.96 6.96 6.96 ChEMBL
κ OPRK Human Opioid A pKi 6.9 6.9 6.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 6.71 6.71 6.71 ChEMBL
κ OPRK Human Opioid A pEC50 7.28 7.28 7.28 ChEMBL