RILUZOLE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N07XX02
UNII 7LJ087RS6F
EPA CompTox DTXSID3045192

Structure

InChI Key FTALBRSUTCGOEG-UHFFFAOYSA-N
Smiles Nc1nc2ccc(OC(F)(F)F)cc2s1
InChI
InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5F3N2OS
Molecular Weight 234.2
AlogP 2.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 48.14
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Sodium channel alpha subunit blocker BLOCKER PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 95.81-124.79
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 95.81-124.79
Leishmania major
- - - - 22.9-101.8
Leishmania mexicana
- - - - 15.1-21.5
Mus musculus
- - - - 63.6-92
Rattus norvegicus
- 0 - - -

Target Conservation

Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 1 subunit alpha
Organism : Homo sapiens
P35498 ENSG00000144285
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 4 subunit alpha
Organism : Homo sapiens
P35499 ENSG00000007314
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 5 subunit alpha
Organism : Homo sapiens
Q14524 ENSG00000183873
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 9 subunit alpha
Organism : Homo sapiens
Q15858 ENSG00000169432
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 2 subunit alpha
Organism : Homo sapiens
Q99250 ENSG00000136531
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 3 subunit alpha
Organism : Homo sapiens
Q9NY46 ENSG00000153253
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 11 subunit alpha
Organism : Homo sapiens
Q9UI33 ENSG00000168356
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 8 subunit alpha
Organism : Homo sapiens
Q9UQD0 ENSG00000196876
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 10 subunit alpha
Organism : Homo sapiens
Q9Y5Y9 ENSG00000185313

Cross References

Resources Reference
ChEBI 8863
ChEMBL CHEMBL744
DrugBank DB00740
DrugCentral 2382
FDA SRS 7LJ087RS6F
Human Metabolome Database HMDB0014878
Guide to Pharmacology 2326
KEGG C07937
PDB 657
PharmGKB PA451251
PubChem 5070
SureChEMBL SCHEMBL78905
ZINC ZINC000000006481
CONTENTS