Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00092
|
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| Drug Name |
Teriflunomide
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| Synonyms |
(2Z)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylidene]-3-oxobutanenitrile; (Z)-2-Cyano-alpha'alpha'alpha-trifluoro-3-hydroxy-p-crotonotoluidide; 2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-2-butenamide; 2-hydroxyethylidene-cyanoacetic acid-4-trifluoromethyl anilide; A 771726; A-771726; Active metabolite of leflunomide; Flucyamide; HMR 1726; HMR-1726; N-(4-Trifluoromethylphenyl)-2-cyano-2-hydroxycrotonamide; RS 61980; RS-61980; SU 20; SU-0020; Teriflunomide [INN]
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| Drug Type |
Small molecular drug
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| Indication | Multiple scierosis [ICD11:8A40] | Approved | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C12H9F3N2O2
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| Canonical SMILES |
CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O
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| 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-
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| InChIKey |
UTNUDOFZCWSZMS-YFHOEESVSA-N
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| CAS Number |
CAS 163451-81-8
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| Pharmaceutical Properties | Molecular Weight | 270.21 | Topological Polar Surface Area | 73.1 | ||
| Heavy Atom Count | 19 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 6 | |||
| XLogP |
3.3
|
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| PubChem CID | ||||||
| PubChem SID |
103252419
,103929187
,104304838
,104633246
,113986292
,12014666
,131294182
,134223898
,134338701
,134338970
,134340294
,134340452
,135074184
,135263629
,135626890
,137116564
,143267135
,152134192
,15221873
,160645856
,162254943
,163414519
,163620868
,163686197
,164178177
,164835947
,17182873
,172919649
,175266318
,176251501
,178103450
,180100588
,180371831
,187072836
,198993049
,29223012
,32961983
,36887811
,39470329
,49896832
,53790606
,57363933
,605680
,77206778
,77206779
,77206780
,8020778
,836841
,93311044
,99311205
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| ChEBI ID |
CHEBI:68540
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| References | ||||||
| 1 | Leflunomide was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | MDR-ABC transporters: biomarkers in rheumatoid arthritis. Clin Exp Rheumatol. 2013 Sep-Oct;31(5):779-87. | |||||
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