TERIFLUNOMIDE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L04AA31
UNII 1C058IKG3B
EPA CompTox DTXSID80893457

Structure

InChI Key UTNUDOFZCWSZMS-YFHOEESVSA-N
Smiles C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1
InChI
InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H9F3N2O2
Molecular Weight 270.21
AlogP 3.0
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 73.12
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Dihydroorotate dehydrogenase inhibitor INHIBITOR Expert
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 9-440 - 30-32 64.03
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 200-320 - - -
Escherichia coli
- - - - 114.52
Homo sapiens
- 130-440 - 30-32 64.03
Mus musculus
- 110-156 - - -
Plasmodium falciparum
- - - - 4.96
Rattus norvegicus
- 9-26 - - -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 68540
ChEMBL CHEMBL973
DrugBank DB08880
DrugCentral 4634
FDA SRS 1C058IKG3B
Guide to Pharmacology 6844
KEGG D10172
PDB A26
PubChem 54684141
SureChEMBL SCHEMBL22661
ZINC ZINC000013512456
CONTENTS