KEGG   DRUG: D01441Help
Entry
D01441                      Drug                                   

Name
Imatinib mesilate (JAN);
Imatinib mesylate (USAN);
Gleevec (TN);
Glivec (TN)
Product
Formula
C29H31N7O. CH4SO3
Exact mass
589.2471
Mol weight
589.7084
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antileukemia and other antitumor agent (tyrosine kinase inhibitor) [DS:H00001 H00004]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Comment
(1) Aggressive systemic mastocytosis (ASM) - for patients without D816V c-Kit mutation
(2) Chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL) - for Philadelphia chromosome positive patients
(3) Myelodysplastic/myeloproliferative diseases (MDS/MPD) - for patients with PDGFR gene rearrangements
(4) Hypereosinophilic syndrome (HES) and/or chronic eosinophilic leukemia (CEL) - for patients who have FIP1L1-PDGFR alpha fusion kinase and who are FIP1L1-PDGFR alpha fusion kinase negative or unknown
Target
Bcr-Abl tyrosine kinase inhibitor [HSA:25] [KO:K06619];
PDGFRA tyrosine kinase inhibitor [HSA:5156] [KO:K04363];
PDGFRB tyrosine kinase inhibitor [HSA:5159] [KO:K05089];
c-KIT tyrosine kinase inhibitor [HSA:3815] [KO:K05091]
  Pathway
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04640  Hematopoietic cell lineage
hsa05200  Pathways in cancer
hsa05220  Chronic myeloid leukemia  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP2D6 [HSA:1565], CYP2C9 [HSA:1559]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Genomic biomarker: (1) KIT [HSA:3815], (2) BCR-ABL [HSA:613 25], (3) PDGFR [HSA:5156 5159], (4) FIP1L1-PDGFRA [HSA:81608 5156]
CYP inhibition: CYP3A [HSA:1576 1577 1551], CYP2D6 [HSA:1565]
Drug interaction
Structure map
Antineoplastics - protein kinases inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE01 Imatinib
      D01441  Imatinib mesilate (JAN); Imatinib mesylate (USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Imatinib
    D01441  Imatinib mesilate (JAN); 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 mesilate (JAN); Imatinib mesylate (USAN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    PDGFRA tyrosine kinase
     Imatinib
      D01441  Imatinib mesilate (JAN)
    PDGFRB tyrosine kinase
     Imatinib
      D01441  Imatinib mesilate (JAN)
    c-KIT tyrosine kinase
     Imatinib
      D01441  Imatinib mesilate (JAN)
 Protein kinases
  Tyrosine protein kinases
   Abl family
    Bcr-Abl tyrosine kinase
     Imatinib
      D01441  Imatinib mesilate (JAN)
Antineoplastics [BR:br08308]
 Molecularly targeted agents
  Receptor tyrosine kinase inhibitor
   Imatinib
    D01441  Imatinib mesilate (JAN); Imatinib mesylate (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C9
   Imatinib
    D01441  Imatinib mesilate (JAN); Imatinib mesylate (USAN)
  CYP2D6
   Imatinib
    D01441  Imatinib mesilate (JAN); Imatinib mesylate (USAN)
  CYP3A4
   Imatinib
    D01441  Imatinib mesilate (JAN); Imatinib mesylate (USAN)
  CYP3A5
   Imatinib
    D01441  Imatinib mesilate (JAN); Imatinib mesylate (USAN)
 Inhbitors
  CYP2D6
   Imatinib
    D01441  Imatinib mesilate (JAN); Imatinib mesylate (USAN)
   Imatinib
    D01441  Imatinib mesilate (JAN); Imatinib mesylate (USAN)
  CYP3A
   Imatinib
    D01441  Imatinib mesilate (JAN); Imatinib mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
220127-57-1
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

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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