Chembl4112358


SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey BULKLYPQLVOONH-VTPACTEHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 486.3

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
δ OPRD Human Opioid A pKi 5.62 5.62 5.62 ChEMBL
δ OPRD Human Opioid A pEC50 6.37 6.37 6.37 ChEMBL
κ OPRK Human Opioid A pKi 8.18 8.18 8.18 ChEMBL
κ OPRK Human Opioid A pEC50 6.97 6.97 6.97 ChEMBL
μ OPRM Human Opioid A pKi 7.43 7.43 7.43 ChEMBL