TERIFLUNOMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2012)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L04AA31
UNII: 1C058IKG3B

Structure
InChI Key UTNUDOFZCWSZMS-YFHOEESVSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Dihydroorotate dehydrogenase inhibitor Expert
Primary Target
dihydroorotate dehydrogenase (quinone)
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
8900-8913 130-5012 - 30-2700 64
Enzyme
8900-8913 130-5012 - 30-2700 64
Ion channel Other ion channel Miscellaneous ion channel Ca2+ release-activated Ca2+ channel family
- 4300 - - -
Unclassified protein
- 4300 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Kidney Diseases 1 D007674 ClinicalTrials
Celiac Disease 1 D002446 ClinicalTrials
Paraparesis, Tropical Spastic 1 D015493 ClinicalTrials

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
19.18
General disorders and administration site conditions
14.0
Skin and subcutaneous tissue disorders
8.78
Musculoskeletal and connective tissue disorders
8.63
Gastrointestinal disorders
8.41
Psychiatric disorders
6.66
Respiratory, thoracic and mediastinal disorders
5.04
Injury, poisoning and procedural complications
4.83
Infections and infestations
4.0
Investigations
3.47
Vascular disorders
3.14
Cardiac disorders
2.51
Renal and urinary disorders
2.23
Eye disorders
2.16

Cross References

Resources Reference
CAS NUMBER 163451-81-8
ChEBI 68540
ChEMBL CHEMBL973
DrugBank DB08880
DrugCentral 4634
EPA CompTox DTXSID80893457
FDA SRS 1C058IKG3B
Guide to Pharmacology 6844
KEGG D10172
PDB A26
PubChem 54684141
SureChEMBL SCHEMBL22661
ZINC ZINC000013512456
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