KEGG   DRUG: LeflunomideHelp
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
Class
Cyp substrate
 DG01892  CYP1A2 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A substrate
Cyp inhibitor
 DG01643  CYP2C9 inhibitor
Remark
Same as: 
Therapeutic category: 
ATC code: 
Activity
Antirheumatic, Dihydroorotate dehydrogenase inhibitor
Comment
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
Target
DHODH [HSA:1723] [KO:K00254]
  Pathway
Pyrimidine metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559], CYP3A4 [HSA:1576], CYP2C19 [HSA:1557], CYP2D6 [HSA:1565], CYP1A2 [HSA:1544]
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]
 CYP inhbitors
  CYP2C9
   Leflunomide
    D00749  Leflunomide (JAN/USAN/INN)
 CYP 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)
Antirheumatic and antigout drugs [br08366.html]
 Antirheumatic drugs
  D00749
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00749
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00749
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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