KEGG   DRUG: D08066Help
Entry
D08066                      Drug                                   

Name
Imatinib (INN);
Glamox (TN)
Formula
C29H31N7O
Exact mass
493.259
Mol weight
493.6027
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic [DS:H00001 H00002 H00003 H00004]
Remark
ATC code: 
Drug group: 
Comment
(1) Aggressive systemic mastocytosis (ASM) - use for patients without D816V c-Kit mutation
(2) Chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL) - use for  with Philadelphia chromosome positive patients
(3) Myelodysplastic/ myeloproliferative diseases (MDS/MPD) - use for patients with PDGFR gene rearrangements
(4) Hypereosinophilic syndrome (HES) and/or chronic eosinophilic leukemia (CEL) - use for patients who have the FIP1L1-PDGFR alpha fusion kinase (mutational analysis or FISH demonstration of CHIC2 allele deletion) and for patients with HES and/or CEL 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
Other map
Bile secretion
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
      D08066  Imatinib (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Imatinib
    D08066  Imatinib (INN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    PDGFRA tyrosine kinase
     Imatinib
      D08066  Imatinib (INN)
    PDGFRB tyrosine kinase
     Imatinib
      D08066  Imatinib (INN)
    c-KIT tyrosine kinase
     Imatinib
      D08066  Imatinib (INN)
 Protein kinases
  Tyrosine protein kinases
   Abl family
    Bcr-Abl tyrosine kinase
     Imatinib
      D08066  Imatinib (INN)
Antineoplastics [BR:br08308]
 Molecularly targeted agents
  Receptor tyrosine kinase inhibitors
   Imatinib
    D08066  Imatinib (INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C9
   Imatinib
    D08066  Imatinib (INN)
  CYP2D6
   Imatinib
    D08066  Imatinib (INN)
  CYP3A4
   Imatinib
    D08066  Imatinib (INN)
  CYP3A5
   Imatinib
    D08066  Imatinib (INN)
 Inhbitors
  CYP2D6
   Imatinib
    D08066  Imatinib (INN)
   Imatinib
    D08066  Imatinib (INN)
  CYP3A
   Imatinib
    D08066  Imatinib (INN)
BRITE hierarchy
Other DBs
CAS: 
152459-95-5
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C8x C    29.6100  -16.8000
            2   C8y C    29.6100  -15.4000
            3   C8x C    28.4200  -14.7000
            4   C8x C    27.1600  -15.4000
            5   C8y C    27.1600  -16.8000
            6   C8x C    28.4200  -17.5000
            7   C5a C    25.9700  -17.5000
            8   N1b N    24.7800  -16.8000
            9   C8y C    23.5900  -17.5000
            10  C8x C    22.3300  -16.8000
            11  C8y C    21.1400  -17.5000
            12  C8y C    21.1400  -18.9000
            13  C8x C    22.3300  -19.6000
            14  C8x C    23.5900  -18.9000
            15  N1b N    19.9500  -16.8700
            16  C8y C    18.6900  -17.5700
            17  N5x N    17.5000  -16.8700
            18  C8y C    16.3100  -17.5700
            19  C8x C    16.3100  -18.9700
            20  C8x C    17.5000  -19.6700
            21  N5x N    18.6900  -18.9700
            22  C8y C    15.0500  -16.8700
            23  C8x C    15.0500  -15.4700
            24  N5x N    13.8600  -14.7700
            25  C8x C    12.6000  -15.4700
            26  C8x C    12.6000  -16.8700
            27  C8x C    13.8600  -17.5700
            28  C1b C    30.8000  -14.7000
            29  N1y N    32.0600  -15.4000
            30  C1x C    32.0600  -16.8000
            31  C1x C    33.2500  -17.5000
            32  N1y N    34.4400  -16.8000
            33  C1x C    34.4400  -15.4000
            34  C1x C    33.2500  -14.7000
            35  C1a C    35.7000  -17.5000
            36  O5a O    25.9700  -18.9000
            37  C1a C    19.9500  -19.6000
BOND        41
            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

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