Chembl4115091


SMILES CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(-n4ccnc4)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey NILYQWCAXZIPIK-SNYCAXESSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 499.2

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 7.37 7.37 7.37 ChEMBL
δ OPRD Human Opioid A pEC50 7.12 7.12 7.12 ChEMBL
κ OPRK Human Opioid A pKi 8.38 8.38 8.38 ChEMBL
κ OPRK Human Opioid A pEC50 6.89 6.89 6.89 ChEMBL
μ OPRM Human Opioid A pKi 7.44 7.44 7.44 ChEMBL
μ OPRM Human Opioid A pEC50 8.03 8.03 8.03 ChEMBL