Chembl2338750


SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey GQUAAJHEELJJGV-PPMCTTEPSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 507.3

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 8.77 8.77 8.77 ChEMBL
μ OPRM Rat Opioid A pKi 9.47 9.47 9.47 ChEMBL
κ OPRK Human Opioid A pEC50 10.77 10.77 10.77 ChEMBL
κ OPRK Human Opioid A pKi 10.29 10.29 10.29 ChEMBL