LEFLUNOMIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L04AA13
UNII G162GK9U4W
EPA CompTox DTXSID9023201

Structure

InChI Key VHOGYURTWQBHIL-UHFFFAOYSA-N
Smiles Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChI
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H9F3N2O2
Molecular Weight 270.21
AlogP 3.25
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 55.13
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Dihydroorotate dehydrogenase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Oxidoreductase
- 9-800 - - 12
Epigenetic regulator Writer Protein methyltransferase SET domain
- - - - 4
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 800 - - -5.67-4
Mus musculus
- - - - 5-85
Rattus norvegicus
- - - - 78

Target Conservation

Protein: Dihydroorotate dehydrogenase
Description: Dihydroorotate dehydrogenase (quinone), mitochondrial
Organism : Homo sapiens
Q02127 ENSG00000102967

Cross References

Resources Reference
ChEBI 6402
ChEMBL CHEMBL960
DrugBank DB01097
DrugCentral 1552
FDA SRS G162GK9U4W
Human Metabolome Database HMDB0015229
Guide to Pharmacology 6825
KEGG C07905
PharmGKB PA450192
PubChem 3899
SureChEMBL SCHEMBL5057
ZINC ZINC000000004840
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