CHEMBL1198701


SMILES O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(C(F)(F)F)cc1
InChIKey VRIWDQKPTOTRNK-XGTKUTNFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 514.2

Drug properties

Molecular type Small molecule
Endogenous/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 8.38 8.38 8.38 ChEMBL
δ OPRD Human Opioid A pKi 8.6 8.6 8.6 ChEMBL
κ OPRK Human Opioid A pKi 9.2 9.34 9.47 ChEMBL
μ OPRM Human Opioid A pKi 9.33 9.33 9.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 7.7 7.7 7.7 ChEMBL
δ OPRD Human Opioid A pEC50 8.29 8.29 8.29 ChEMBL
κ OPRK Human Opioid A pEC50 8.0 8.0 8.0 ChEMBL
μ OPRM Human Opioid A pEC50 7.8 7.8 7.8 ChEMBL