KEGG   DRUG: IvosidenibHelp
Entry
D11090                      Drug                                   

Name
Ivosidenib (USAN/INN);
Tibsovo (TN)
Product
Formula
C28H22ClF3N6O3
Exact mass
582.1394
Mol weight
582.9609
Structure
Mol fileKCF fileDB search
Remark
Product: D11090<US>
Efficacy
Antineoplastic, Isocitrate dehydrogenase 1 inhibitor
  Disease
Acute myeloid leukemia (susceptible IDH1 mutation) [DS:H00003]
Comment
Treatment of cancer
Target
IDH1 [HSA:3417] [KO:K00031]
  Pathway
hsa00020  Citrate cycle (TCA cycle)
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    IDH1
     D11090  Ivosidenib (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11090
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11090
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D11090
BRITE hierarchy
Other DBs
CAS: 1448347-49-6
PubChem: 376219015
ChEMBL: CHEMBL3989958
LinkDB All DBs
KCF data Show

ATOM        41
            1   C8y C    24.4300  -17.5000
            2   C8x C    24.4300  -18.9000
            3   C8y C    25.6424  -19.6000
            4   C8x C    26.8549  -18.9000
            5   N5x N    26.8549  -17.5000
            6   C8x C    25.6424  -16.8000
            7   N1c N    23.2176  -16.8000
            8   C5a C    22.0221  -17.4904
            9   C1y C    20.8347  -16.8049
            10  O5a O    22.0220  -18.8997
            11  C1x C    20.4190  -15.4713
            12  C1x C    19.0170  -15.4545
            13  C5x C    18.5678  -16.7826
            14  N1y N    19.6921  -17.6202
            15  C8y C    19.6778  -19.0400
            16  C8x C    18.4525  -19.7311
            17  C8y C    18.5084  -21.1311
            18  C8x C    19.6438  -21.8432
            19  C8x C    20.8691  -21.1520
            20  N5x N    20.8832  -19.7521
            21  C3b C    17.2721  -21.8478
            22  N3a N    16.0596  -22.5478
            23  X   F    25.6424  -20.9998
            24  O5x O    17.2101  -17.2056
            25  C1c C    23.2175  -14.8402
            26  C5a C    22.0219  -14.1498
            27  C8y C    24.4468  -14.1303
            28  C8x C    25.6508  -14.8254
            29  C8x C    26.8632  -14.1253
            30  C8x C    26.8632  -12.7253
            31  C8x C    25.6592  -12.0302
            32  C8y C    24.4467  -12.7303
            33  O5a O    22.0219  -12.7498
            34  N1b N    20.8348  -14.8352
            35  C1y C    19.6424  -14.1404
            36  C1x C    19.6995  -12.7406
            37  C1z C    18.2997  -12.7535
            38  C1x C    18.2426  -14.1533
            39  X   F    17.3045  -11.7261
            40  X   F    16.9005  -13.2609
            41  X   Cl   23.2260  -12.0255
BOND        45
            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     1   7 1
            8     7   8 1
            9     9   8 1 #Up
            10    8  10 2
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    9  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   17  21 1
            24   21  22 3
            25    3  23 1
            26   13  24 2
            27   25   7 1 #Down
            28   25  26 1
            29   25  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   27  32 1
            36   26  33 2
            37   26  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   35  38 1
            43   37  39 1
            44   37  40 1
            45   32  41 1

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