CHEMBL517567


SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey PNSGSIISNKYAEX-XUTBCECSSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 494.3

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
δ OPRD Human Opioid A pKi 7.27 7.27 7.27 ChEMBL
κ OPRK Human Opioid A pKi 8.68 8.68 8.68 ChEMBL
μ OPRM Human Opioid A pKi 9.11 9.11 9.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pIC50 6.85 6.85 6.85 ChEMBL
μ OPRM Human Opioid A pIC50 8.4 8.4 8.4 ChEMBL