KEGG   DRUG: D10172Help
Entry
D10172                      Drug                                   

Name
Teriflunomide (USAN);
Aubagio (TN)
Product
Formula
C12H9F3N2O2
Exact mass
270.0616
Mol weight
270.2073
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of multiple sclerosis
Remark
ATC code: 
Comment
Teriflunomide is the active metabolite of Leflunomide [DR:D00749]
Target
dihydroorotate dehydrogenase (DHODH) inhibitor [HSA:1723] [KO:K00254]
  Pathway
hsa00240  Pyrimidine metabolism  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA31 Teriflunomide
      D10172  Teriflunomide (USAN)
USP drug classification [BR:br08302]
 Central Nervous System Agents
  Multiple Sclerosis Agents
   Teriflunomide
    D10172  Teriflunomide (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   dihydroorotate dehydrogenase (DHODH) [HSA:1723] [KO:K00254]
    Teriflunomide
     D10172  Teriflunomide (USAN)
BRITE hierarchy
Other DBs
CAS: 
163451-81-8
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    21.6300  -21.7700
            2   C8x C    21.6300  -20.3700
            3   C8x C    22.8200  -19.6700
            4   C8y C    24.0800  -20.3700
            5   C8x C    24.0800  -21.7700
            6   C8x C    22.8200  -22.4700
            7   C1d C    25.2700  -19.6700
            8   N1b N    20.4400  -22.4700
            9   C5a C    19.2500  -21.7700
            10  C2c C    18.0600  -22.4700
            11  O5a O    19.2500  -20.3700
            12  C2c C    16.8700  -21.7700
            13  C3b C    18.0600  -23.8700
            14  N3a N    18.0600  -25.2700
            15  C1a C    15.6800  -22.4700
            16  O1a O    16.8700  -20.3700
            17  X   F    26.5300  -18.9700
            18  X   F    25.9700  -20.8600
            19  X   F    24.5700  -18.4800
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     1   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 2
            13   10  13 1
            14   13  14 3
            15   12  15 1
            16   12  16 1
            17    7  17 1
            18    7  18 1
            19    7  19 1

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