KEGG   DRUG: Fostamatinib
Entry
D09347                      Drug                                   
Name
Fostamatinib (USAN)
Formula
C23H26FN6O9P
Exact mass
580.1483
Mol weight
580.4595
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
 DG02862  ABCG2 inhibitor
Remark
ATC code: B02BX09
Chemical structure group: DG01419
Product (DG01419): D09348<JP/US>
Efficacy
Antineoplastic, Immunomodulator, Tyrosin kinase inhibitor
Comment
Treatment of rheumatoid arthritis, immune thrombocytopenic purpura, and B-cell lymphoma
Target
SYK [HSA:6850] [KO:K05855]
  Pathway
hsa04064  NF-kappa B signaling pathway
hsa04662  B cell receptor signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Transporter inhibition: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B02 ANTIHEMORRHAGICS
   B02B VITAMIN K AND OTHER HEMOSTATICS
    B02BX Other systemic hemostatics
     B02BX09 Fostamatinib
      D09347  Fostamatinib (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01419  Fostamatinib
    D09347  Fostamatinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01419  Fostamatinib
     D09347  Fostamatinib
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01419  Fostamatinib
    D09347  Fostamatinib
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG01419  Fostamatinib
    D09347  Fostamatinib
  DG02862  ABCG2 inhibitor
   DG01419  Fostamatinib
    D09347  Fostamatinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   SYK family
    SYK
     D09347  Fostamatinib (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09347
 Drug transporters
  D09347
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01419  Fostamatinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01419  Fostamatinib
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01419  Fostamatinib
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG01419  Fostamatinib
  DG02862  ABCG2 inhibitor
   DG01419  Fostamatinib
Other DBs
CAS: 901119-35-5
PubChem: 96026027
PDB-CCD: 2RC[PDBj]
LigandBox: D09347
LinkDB
KCF data

ATOM        40
            1   N1b N    19.2868  -25.2551
            2   C8y C    19.2868  -23.8526
            3   N5x N    18.0947  -23.1513
            4   C8x C    18.0947  -21.7488
            5   C8y C    19.2868  -21.0475
            6   C8y C    20.5491  -21.7488
            7   N5x N    20.5491  -23.1513
            8   X   F    19.2868  -19.6450
            9   N1b N    21.7413  -21.0475
            10  C8y C    22.9334  -21.7488
            11  N5x N    24.1256  -21.0475
            12  C8y C    25.3879  -21.7488
            13  C8y C    25.3879  -23.1513
            14  C8x C    24.1957  -23.8526
            15  C8x C    22.9334  -23.1513
            16  N1y N    26.5800  -21.0475
            17  C5x C    27.7722  -21.7488
            18  C1z C    27.7722  -23.1513
            19  O2x O    26.5800  -23.8526
            20  C1a C    28.9644  -23.8526
            21  C1a C    28.9644  -22.4500
            22  O5x O    28.9644  -21.0475
            23  C1b C    26.5800  -19.6450
            24  O2b O    27.7722  -18.9437
            25  P1b P    27.7722  -17.5412
            26  C8y C    20.5014  -25.9564
            27  C8x C    20.5014  -27.3587
            28  C8y C    21.7161  -28.0600
            29  C8y C    22.9307  -27.3587
            30  C8y C    22.9307  -25.9564
            31  C8x C    21.7161  -25.2551
            32  O2a O    24.1474  -28.0612
            33  O2a O    24.1474  -25.2539
            34  O2a O    21.7161  -29.4625
            35  O1c O    29.1747  -17.5412
            36  O1c O    26.3697  -17.5412
            37  O1c O    27.7722  -16.1386
            38  C1a C    25.3688  -25.9589
            39  C1a C    25.3580  -27.3623
            40  C1a C    22.9196  -30.1575
BOND        43
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     2   7 1
            8     5   8 1
            9     6   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   13  19 1
            22   18  20 1
            23   18  21 1
            24   17  22 2
            25   16  23 1
            26   23  24 1
            27   24  25 1
            28    1  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   26  31 1
            35   29  32 1
            36   30  33 1
            37   28  34 1
            38   25  35 1
            39   25  36 1
            40   25  37 2
            41   33  38 1
            42   32  39 1
            43   34  40 1

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