KEGG   DRUG: D00749Help
Entry
D00749                      Drug                                   

Name
Leflunomide (JAN/USAN/INN);
Arava (TN)
Product
  Generic
Formula
C12H9F3N2O2
Exact mass
270.0616
Mol weight
270.2073
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic [blocks PDGF receptor function, inhibiting the growth and survival of human tumor cells when administered intravenously];
Used in the treatment of rheumatoid  arthritis when administered orally [DS:H00630]
Remark
Same as: 
Therapeutic category: 
ATC code: 
Target
dihydroorotate dehydrogenase inhibitor [HSA:1723] [KO:K00254]
  Pathway
hsa00240  Pyrimidine metabolism  
 
Metabolism
Enzyme: CYP2C9 [HSA:1559], CYP3A4 [HSA:1576], CYP2C19 [HSA:1557], CYP2D6 [HSA:1565]
Interaction
CYP inhibition: CYP2C9 [HSA:1559]
Drug interaction
Structure map
Immunosuppressive agents
Antirheumatics - DMARDs and biological agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA13 Leflunomide
      D00749  Leflunomide (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Immunological Agents
  Immunomodulators
   Leflunomide
    D00749  Leflunomide (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D00749  Leflunomide (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   dihydroorotate dehydrogenase (DHODH)
    Leflunomide
     D00749  Leflunomide (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C9
   Leflunomide
    D00749  Leflunomide (JAN/USAN/INN)
  CYP2C19
   Leflunomide
    D00749  Leflunomide (JAN/USAN/INN)
  CYP2D6
   Leflunomide
    D00749  Leflunomide (JAN/USAN/INN)
  CYP3A4
   Leflunomide
    D00749  Leflunomide (JAN/USAN/INN)
 Inhbitors
  CYP2C9
   Leflunomide
    D00749  Leflunomide (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
75706-12-6
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        19
            1   C8y C    22.4985  -19.9460
            2   C5a C    23.7261  -19.2621
            3   C8y C    22.4985  -21.3488
            4   C8x C    21.1659  -19.5077
            5   N1b N    24.9360  -19.9577
            6   O5a O    23.7261  -17.8652
            7   O2x O    21.1601  -21.7813
            8   C1a C    23.6268  -22.1788
            9   N5x N    20.3360  -20.6415
            10  C8y C    26.1460  -19.2621
            11  C8x C    26.1460  -17.8592
            12  C8x C    27.3617  -19.9577
            13  C8x C    27.3617  -17.1637
            14  C8x C    28.5657  -19.2621
            15  C8y C    28.5657  -17.8592
            16  C1d C    29.7756  -17.1580
            17  X   F    30.9798  -16.4506
            18  X   F    29.0684  -15.9421
            19  X   F    30.4653  -18.3677
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10   10  11 2
            11   10  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 2
            15   15  16 1
            16   16  17 1
            17   16  18 1
            18   16  19 1
            19    7   9 1
            20   14  15 1

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