KEGG   DRUG: Gilteritinib fumarate
Entry
D10800                      Drug                                   
Name
Gilteritinib fumarate (JAN/USAN);
Xospata (TN)
Product
XOSPATA (Astellas Pharma US)
Formula
(C29H44N8O3)2. C4H4O4
Exact mass
1220.7182
Mol weight
1221.4951
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Transporter substrate
 DG01665  ABCB1 substrate
Remark
Therapeutic category: 4291
ATC code: L01EX13
Chemical structure group: DG01948
Product (DG01948): D10800<JP/US>
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
  Disease
Acute myeloid leukemia (FLT3 mutation-positive) [DS:H00003]
Comment
Treatment of acute myeloid leukemia
Target
FLT3* (CD135) [HSA_VAR:2322v1 2322v2] [HSA:2322] [KO:K05092]
  Pathway
hsa04014  Ras signaling pathway
hsa04640  Hematopoietic cell lineage
hsa05200  Pathways in cancer
hsa05221  Acute myeloid leukemia
  Network
nt06275  Acute myeloid leukemia
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EX Other protein kinase inhibitors
     L01EX13 Gilteritinib
      D10800  Gilteritinib fumarate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Gilteritinib
    D10800  Gilteritinib fumarate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10800  Gilteritinib fumarate (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG01948  Gilteritinib
     D10800  Gilteritinib fumarate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01948  Gilteritinib
     D10800  Gilteritinib fumarate
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01948  Gilteritinib
    D10800  Gilteritinib fumarate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    FLT3* (CD135) [HSA_VAR:2322v1 2322v2]
     D10800  Gilteritinib fumarate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10800
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10800
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10800
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10800
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10800
 Drug transporters
  D10800
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10800
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG01948  Gilteritinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01948  Gilteritinib
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01948  Gilteritinib
Other DBs
CAS: 1254053-84-3
PubChem: 316933536
LinkDB
KCF data

ATOM        88
            1   C1x C    14.3388  -16.5071
            2   C1y C    14.3388  -17.9060
            3   C1x C    15.5278  -18.6054
            4   C1x C    16.7869  -17.9060
            5   N1y N    16.7869  -16.5071
            6   C1x C    15.5278  -15.8076
            7   C8y C    17.9759  -15.8076
            8   C8x C    19.1650  -16.5071
            9   C8x C    20.4240  -15.8076
            10  C8y C    20.4240  -14.4087
            11  C8x C    19.2349  -13.7093
            12  C8y C    17.9759  -14.4087
            13  N1b N    21.6131  -13.7093
            14  C8y C    22.8721  -14.4087
            15  N5x N    22.8721  -15.8076
            16  C8y C    24.0612  -16.5071
            17  C8y C    25.2502  -15.8076
            18  N5x N    25.2502  -14.4087
            19  C8y C    24.0612  -13.7093
            20  O2a O    16.7869  -13.7093
            21  C1a C    15.5278  -14.4087
            22  N1y N    13.1497  -18.6054
            23  C1x C    11.9606  -17.9060
            24  C1x C    10.7016  -18.6054
            25  N1y N    10.7016  -20.0043
            26  C1x C    11.8907  -20.7038
            27  C1x C    13.1497  -20.0043
            28  C1a C     9.5126  -20.7038
            29  N1b N    24.0612  -17.9060
            30  C1y C    25.2502  -18.6054
            31  C1x C    26.4393  -17.9060
            32  C1x C    25.2502  -20.0043
            33  C1x C    26.4393  -20.7038
            34  O2x O    27.6983  -20.0043
            35  C1x C    27.6983  -18.6054
            36  C5a C    24.0612  -12.3104
            37  O5a O    22.8721  -11.6109
            38  N1a N    25.2502  -11.6109
            39  C1b C    26.4393  -16.5071
            40  C1a C    27.6983  -15.8076
            41  C6a C    34.9300  -16.1700
            42  C2b C    36.1424  -16.8700
            43  O6a O    33.7176  -16.8700
            44  O6a O    34.9300  -14.7700
            45  C2b C    37.3379  -16.1796
            46  C6a C    38.5253  -16.8651
            47  O6a O    39.7165  -16.1771
            48  O6a O    38.5255  -18.2698
            49  C1x C    14.3388  -16.5071
            50  C1y C    14.3388  -17.9060
            51  C1x C    15.5278  -18.6054
            52  C1x C    16.7869  -17.9060
            53  N1y N    16.7869  -16.5071
            54  C1x C    15.5278  -15.8076
            55  C8y C    17.9759  -15.8076
            56  C8x C    19.1650  -16.5071
            57  C8x C    20.4240  -15.8076
            58  C8y C    20.4240  -14.4087
            59  C8x C    19.2349  -13.7093
            60  C8y C    17.9759  -14.4087
            61  O2a O    16.7869  -13.7093
            62  C1a C    15.5278  -14.4087
            63  N1b N    21.6131  -13.7093
            64  C8y C    22.8721  -14.4087
            65  N5x N    22.8721  -15.8076
            66  C8y C    24.0612  -16.5071
            67  C8y C    25.2502  -15.8076
            68  N5x N    25.2502  -14.4087
            69  C8y C    24.0612  -13.7093
            70  C5a C    24.0612  -12.3104
            71  O5a O    22.8721  -11.6109
            72  N1a N    25.2502  -11.6109
            73  C1b C    26.4393  -16.5071
            74  C1a C    27.6983  -15.8076
            75  N1b N    24.0612  -17.9060
            76  C1y C    25.2502  -18.6054
            77  C1x C    26.4393  -17.9060
            78  C1x C    27.6983  -18.6054
            79  O2x O    27.6983  -20.0043
            80  C1x C    26.4393  -20.7038
            81  C1x C    25.2502  -20.0043
            82  N1y N    13.1497  -18.6054
            83  C1x C    11.9606  -17.9060
            84  C1x C    10.7016  -18.6054
            85  N1y N    10.7016  -20.0043
            86  C1x C    11.8907  -20.7038
            87  C1x C    13.1497  -20.0043
            88  C1a C     9.5126  -20.7038
BOND        95
            1    41  42 1
            2    41  43 1
            3    41  44 2
            4    42  45 2
            5    45  46 1
            6    46  47 1
            7    46  48 2
            8     1   2 1
            9     2   3 1
            10    3   4 1
            11    4   5 1
            12    5   6 1
            13    1   6 1
            14    5   7 1
            15    7   8 2
            16    8   9 1
            17    9  10 2
            18   10  11 1
            19   11  12 2
            20    7  12 1
            21   10  13 1
            22   13  14 1
            23   14  15 2
            24   15  16 1
            25   16  17 2
            26   17  18 1
            27   18  19 2
            28   14  19 1
            29   12  20 1
            30   20  21 1
            31    2  22 1
            32   22  23 1
            33   23  24 1
            34   24  25 1
            35   25  26 1
            36   26  27 1
            37   22  27 1
            38   25  28 1
            39   16  29 1
            40   29  30 1
            41   30  31 1
            42   30  32 1
            43   32  33 1
            44   33  34 1
            45   34  35 1
            46   31  35 1
            47   19  36 1
            48   36  37 2
            49   36  38 1
            50   17  39 1
            51   39  40 1
            52   49  50 1
            53   50  51 1
            54   51  52 1
            55   52  53 1
            56   53  54 1
            57   49  54 1
            58   53  55 1
            59   55  56 2
            60   56  57 1
            61   57  58 2
            62   58  59 1
            63   59  60 2
            64   55  60 1
            65   58  63 1
            66   63  64 1
            67   64  65 2
            68   65  66 1
            69   66  67 2
            70   67  68 1
            71   68  69 2
            72   64  69 1
            73   60  61 1
            74   61  62 1
            75   50  82 1
            76   82  83 1
            77   83  84 1
            78   84  85 1
            79   85  86 1
            80   86  87 1
            81   82  87 1
            82   85  88 1
            83   66  75 1
            84   75  76 1
            85   76  77 1
            86   76  81 1
            87   81  80 1
            88   80  79 1
            89   79  78 1
            90   77  78 1
            91   69  70 1
            92   70  71 2
            93   70  72 1
            94   67  73 1
            95   73  74 1
BRACKET     1     6.4400  -22.4000    6.4400   -9.8700
            1    29.8200   -9.8700   29.8200  -22.4000
            1  2
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  12  20  21  13  14
            1   15  16  17  18  19  36  37  38  39  40  29  30  31  35  34  33
            1   32  22  23  24  25  26  27  28
 REPEAT    1   49  50  51  52  53  54  55  56  57  58  59  60  61  62  63  64
            1   65  66  67  68  69  70  71  72  73  74  75  76  77  78  79  80
            1   81  82  83  84  85  86  87  88

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