CHEMBL3581743


SMILES CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey FZDIMXLFHUBMEZ-KTLUODIZSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 503.2

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
NOP OPRX Human Opioid A pKi 7.47 7.47 7.47 ChEMBL
μ OPRM Rat Opioid A pKi 9.8 9.8 9.8 ChEMBL
κ OPRK Human Opioid A pKi 10.3 10.3 10.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 8.14 8.14 8.14 ChEMBL
μ OPRM Rat Opioid A pEC50 9.66 9.66 9.66 ChEMBL