Chembl2338747


SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey JJRPHYKGPHREMD-JTTXIWGLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 493.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 9.25 9.25 9.25 ChEMBL
μ OPRM Rat Opioid A pKi 9.54 9.54 9.54 ChEMBL
κ OPRK Human Opioid A pEC50 10.96 10.96 10.96 ChEMBL
κ OPRK Human Opioid A pKi 10.16 10.16 10.16 ChEMBL