KEGG   DRUG: Gilteritinib
Entry
D10709                      Drug                                   

Name
Gilteritinib (USAN/INN)
Formula
C29H44N8O3
Exact mass
552.3536
Mol weight
552.7115
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
ATC code: L01XE54
Chemical structure group: DG01948
Product (DG01948): D10800<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Comment
Treatment of acute myeloid leukemia
Target
FLT3 (CD135) [HSA:2322] [KO:K05092]
  Pathway
hsa05200  Pathways in cancer
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
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE54 Gilteritinib
      D10709  Gilteritinib (USAN/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Gilteritinib
    D10709  Gilteritinib (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    FLT3 (CD135)
     D10709  Gilteritinib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10709
 Drug transporters
  D10709
Other DBs
CAS: 1254053-43-4
PubChem: 254741670
ChEBI: 145372
ChEMBL: CHEMBL3301622
PDB-CCD: C6F[PDBj]
LinkDB
KCF data

ATOM        40
            1   C1x C    14.3460  -16.5117
            2   C1y C    14.3460  -17.9110
            3   C1x C    15.5355  -18.6107
            4   C1x C    16.7949  -17.9110
            5   N1y N    16.7949  -16.5117
            6   C1x C    15.5355  -15.8120
            7   C8y C    17.9843  -15.8120
            8   C8x C    19.1738  -16.5117
            9   C8x C    20.4332  -15.8120
            10  C8y C    20.4332  -14.4127
            11  C8x C    19.2437  -13.7130
            12  C8y C    17.9843  -14.4127
            13  N1b N    21.6450  -13.7130
            14  C8y C    22.8570  -14.4127
            15  N5x N    22.8570  -15.8118
            16  C8y C    24.0688  -16.5115
            17  C8y C    25.2806  -15.8118
            18  N5x N    25.2806  -14.4127
            19  C8y C    24.0688  -13.7130
            20  O2a O    16.7725  -13.7130
            21  C1a C    15.5606  -14.4127
            22  N1y N    13.1342  -18.6107
            23  C1x C    11.9392  -17.9206
            24  C1x C    10.7273  -18.6202
            25  N1y N    10.7271  -20.0196
            26  C1x C    11.9221  -20.7096
            27  C1x C    13.1340  -20.0101
            28  C1a C     9.5153  -20.7192
            29  N1b N    24.0688  -17.9108
            30  C1y C    25.2807  -18.6105
            31  C1x C    26.4926  -17.9108
            32  C1x C    25.2807  -20.0099
            33  C1x C    26.4927  -20.7095
            34  O2x O    27.7045  -20.0099
            35  C1x C    27.7044  -18.6105
            36  C5a C    24.0688  -12.3137
            37  O5a O    22.8570  -11.6140
            38  N1a N    25.2806  -11.6140
            39  C1b C    26.4925  -16.5115
            40  C1a C    27.7044  -15.8118
BOND        44
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   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   10  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   12  20 1
            23   20  21 1
            24    2  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   25  28 1
            32   16  29 1
            33   29  30 1
            34   30  31 1
            35   30  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   31  35 1
            40   19  36 1
            41   36  37 2
            42   36  38 1
            43   17  39 1
            44   39  40 1

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