FLUPIRTINE

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Synonyms
Status
Molecule Category Free-form
ATC N02BG07
UNII MOH3ET196H
EPA CompTox DTXSID4048436

Structure

InChI Key JUUFBMODXQKSTD-UHFFFAOYSA-N
Smiles CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
InChI
InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17FN4O2
Molecular Weight 304.32
AlogP 2.98
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 89.27
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 8.4
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
560 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
560 - - - 8.4

Cross References

Resources Reference
ChEBI 94646
ChEMBL CHEMBL255044
DrugBank DB06623
DrugCentral 1215
FDA SRS MOH3ET196H
Guide to Pharmacology 2598
PharmGKB PA166152829
PubChem 53276
SureChEMBL SCHEMBL25009
ZINC ZINC000000001473
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