CHEMBL4638667


SMILES Cc1cc(F)ccc1-c1cnc2c(c1)C[C@@]1(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5
InChIKey PEXRJXFYKQPQDW-QJMCPCMJSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 602.3

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 8.42 8.42 8.42 ChEMBL
κ OPRK Human Opioid A pKi 6.89 6.89 6.89 ChEMBL
μ OPRM Human Opioid A pKi 7.52 7.52 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.55 7.55 7.55 ChEMBL
μ OPRM Human Opioid A pEC50 7.6 7.6 7.6 ChEMBL