KEGG   DRUG: Imatinib mesylate
Entry
D01441                      Drug                                   
Name
Imatinib mesylate (USAN);
Imatinib mesilate (JAN);
Gleevec (TN);
Glivec (TN)
Product
  Generic
Formula
C29H31N7O. CH4SO3
Exact mass
589.2471
Mol weight
589.7084
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG03161  BCR-ABL inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L01EA01
Chemical structure group: DG00710
Product (DG00710): D01441<JP/US>
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
  Disease
Chronic myeloid leukemia (Philadelphia chromosome positive) [DS:H00004]
Acute lymphoblastic leukemia (Philadelphia chromosome positive) [DS:H00001]
Myelodysplastic/myeloproliferative diseases [DS:H02410]
Mastocytosis [DS:H01511]
Hypereosinophilic syndrome (FIP1L1-PDGFRA positive) [DS:H01599]
Chronic eosinophilic leukemia (FIP1L1-PDGFRA positive) [DS:H01590]
Gastrointestinal stromal tumors (KIT positive) [DS:H01591]
Target
BCR-ABL [HSA_VAR:25v1] [HSA:25] [KO:K06619]
FIP1L1-PDGFRA [HSA:5156] [KO:K04363]
KIT (CD117) [HSA:3815] [KO:K05091]
  Network
N10001  First-generation tyrosine kinase inhibitor to BCR-ABL fusion
  Pathway
hsa04010  MAPK signaling pathway
hsa05200  Pathways in cancer
hsa05220  Chronic myeloid leukemia
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07045  Antineoplastics - protein kinase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EA BCR-ABL tyrosine kinase inhibitors
     L01EA01 Imatinib
      D01441  Imatinib mesylate (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Imatinib
    D01441  Imatinib mesylate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D01441  Imatinib mesylate (USAN); Imatinib mesilate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03161  BCR-ABL inhibitor
    DG00710  Imatinib
     D01441  Imatinib mesylate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00710  Imatinib
     D01441  Imatinib mesylate
Drug classes [BR:br08332]
 Antineoplastic
  DG03161  BCR-ABL inhibitor
   D01441  Imatinib mesylate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    FIP1L1-PDGFRA
     D01441  Imatinib mesylate (USAN) <JP/US>
    KIT (CD117)
     D01441  Imatinib mesylate (USAN) <JP/US>
  Non-receptor tyrosine kinases
   ABL family
    BCR-ABL [HSA_VAR:25v1]
     D01441  Imatinib mesylate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D01441
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01441
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01441
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01441
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01441
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D01441
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03161  BCR-ABL inhibitor
    DG00710  Imatinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00710  Imatinib
Other DBs
CAS: 220127-57-1
PubChem: 7848504
ChEBI: 31690
LigandBox: D01441
NIKKAJI: J1.337.144J
KCF data

ATOM        42
            1   C8x C    33.4600  -13.6500
            2   C8y C    33.4600  -12.2500
            3   C8x C    32.2700  -11.5500
            4   C8x C    31.0100  -12.2500
            5   C8y C    31.0100  -13.6500
            6   C8x C    32.2700  -14.3500
            7   C5a C    29.8200  -14.3500
            8   N1b N    28.6300  -13.6500
            9   C8y C    27.4400  -14.3500
            10  C8x C    26.1800  -13.6500
            11  C8y C    24.9900  -14.3500
            12  C8y C    24.9900  -15.7500
            13  C8x C    26.1800  -16.4500
            14  C8x C    27.4400  -15.7500
            15  N1b N    23.8000  -13.7200
            16  C8y C    22.5400  -14.4200
            17  N5x N    21.3500  -13.7200
            18  C8y C    20.1600  -14.4200
            19  C8x C    20.1600  -15.8200
            20  C8x C    21.3500  -16.5200
            21  N5x N    22.5400  -15.8200
            22  C8y C    18.9000  -13.7200
            23  C8x C    18.9000  -12.3200
            24  N5x N    17.7100  -11.6200
            25  C8x C    16.5200  -12.3200
            26  C8x C    16.5200  -13.7200
            27  C8x C    17.7100  -14.4200
            28  C1b C    34.6500  -11.5500
            29  N1y N    35.9100  -12.2500
            30  C1x C    35.9100  -13.6500
            31  C1x C    37.1000  -14.3500
            32  N1y N    38.2900  -13.6500
            33  C1x C    38.2900  -12.2500
            34  C1x C    37.1000  -11.5500
            35  C1a C    39.5500  -14.3500
            36  O5a O    29.8200  -15.7500
            37  C1a C    23.8000  -16.4500
            38  S4a S    34.9300  -16.5900
            39  O1d O    34.9300  -15.1900
            40  O1d O    34.9300  -17.9900
            41  C1a C    33.5300  -16.5900
            42  O1d O    36.3300  -16.5900
BOND        45
            1    18  19 2
            2    19  20 1
            3    20  21 2
            4    21  16 1
            5     3   4 2
            6    18  22 1
            7     4   5 1
            8     5   6 2
            9     6   1 1
            10    9  10 2
            11   10  11 1
            12   22  23 2
            13   23  24 1
            14   24  25 2
            15   25  26 1
            16   26  27 2
            17   27  22 1
            18   11  12 2
            19    2  28 1
            20   12  13 1
            21   28  29 1
            22   13  14 2
            23   14   9 1
            24   11  15 1
            25    5   7 1
            26   29  30 1
            27   30  31 1
            28   31  32 1
            29   32  33 1
            30   33  34 1
            31   34  29 1
            32   15  16 1
            33   32  35 1
            34    7  36 2
            35    7   8 1
            36   12  37 1
            37    1   2 2
            38    8   9 1
            39    2   3 1
            40   16  17 2
            41   17  18 1
            42   38  39 2
            43   38  40 2
            44   38  41 1
            45   38  42 1

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