KEGG   DRUG: Gilteritinib fumarateHelp
Entry
D10800                      Drug                                   

Name
Gilteritinib fumarate (JAN/USAN);
Xospata (TN)
Product
Formula
(C29H44N8O3)2. C4H4O4
Exact mass
1220.7182
Mol weight
1221.4951
Structure
Mol fileKCF fileDB search
Remark
Therapeutic category: 4291
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
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
Drug interaction
Brite
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)
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 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
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10800
BRITE hierarchy
Other DBs
CAS: 1254053-84-3
PubChem: 316933536
ChEMBL: CHEMBL3301603
LinkDB All DBs
KCF data Show

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

» Japanese version   » Back

DBGET integrated database retrieval system