KEGG   DRUG: Enasidenib mesylate
Entry
D11044                      Drug                                   
Name
Enasidenib mesylate (USAN);
Idhifa (TN)
Product
IDHIFA (Celgene Corporation)
Formula
C19H17F6N7O. CH4SO3
Exact mass
569.128
Mol weight
569.4807
Structure
Simcomp
Remark
ATC code: L01XX59
Chemical structure group: DG02837
Product (DG02837): D11044<US>
Efficacy
Antineoplastic, Isocitrate dehydrogenase 2 inhibitor
  Disease
Acute myeloid leukemia (IDH2 mutation positive) [DS:H00003]
Target
IDH2* [HSA_VAR:3418v1] [HSA:3418] [KO:K00031]
  Pathway
hsa01210  2-Oxocarboxylic acid metabolism
hsa01230  Biosynthesis of amino acids
hsa04146  Peroxisome
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX59 Enasidenib
      D11044  Enasidenib mesylate (USAN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Enasidenib
    D11044  Enasidenib mesylate (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    IDH2* [HSA_VAR:3418v1]
     D11044  Enasidenib mesylate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11044
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11044
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D11044
Other DBs
CAS: 1650550-25-6
PubChem: 355052578
KCF data

ATOM        38
            1   N5x N    17.3187  -17.5290
            2   C8y C    17.3187  -18.9314
            3   N5x N    18.5107  -19.6325
            4   C8y C    19.7027  -18.9314
            5   N5x N    19.7027  -17.5290
            6   C8y C    18.5107  -16.8279
            7   C8y C    18.5107  -15.4256
            8   C8x C    19.7027  -14.7244
            9   C8x C    19.7027  -13.3221
            10  C8x C    18.5107  -12.6209
            11  C8y C    17.3187  -13.3221
            12  N5x N    17.3187  -14.7244
            13  C1d C    16.0566  -12.6209
            14  X   F    14.8646  -11.9198
            15  X   F    15.3554  -13.8129
            16  X   F    16.7578  -11.3588
            17  N1b N    20.9647  -19.6325
            18  C8y C    22.1567  -18.9314
            19  C8x C    23.3487  -19.6325
            20  C8x C    24.6108  -18.9314
            21  N5x N    24.6108  -17.5290
            22  C8y C    23.4188  -16.8279
            23  C8x C    22.1567  -17.5290
            24  C1d C    23.4188  -15.4256
            25  X   F    23.4188  -14.0232
            26  X   F    22.0165  -15.4256
            27  X   F    24.8211  -15.4256
            28  N1b N    16.0566  -19.6325
            29  C1b C    14.8646  -18.9314
            30  C1d C    13.6727  -19.6325
            31  C1a C    12.4807  -18.9314
            32  O1a O    13.6727  -21.0349
            33  C1a C    12.4807  -20.3337
            34  S4a S    28.3500  -18.4100
            35  O1d O    26.9500  -18.4100
            36  C1a C    29.7500  -18.4100
            37  O1d O    28.3500  -19.8100
            38  O1d O    28.3500  -17.0100
BOND        39
            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     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   11  13 1
            15   13  14 1
            16   13  15 1
            17   13  16 1
            18    4  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   22  24 1
            27   24  25 1
            28   24  26 1
            29   24  27 1
            30    2  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   30  32 1
            35   30  33 1
            36   34  35 1
            37   34  36 1
            38   34  37 2
            39   34  38 2

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