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: 
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) c-KIT expression [HSA:3815], (2) Philadelphia chromosome, (3) PDGFR [HSA:5156 5159], (4) FIP1L1-PDGFRA fusion gene [HSA:81608 5156]
CYP inhibition: CYP3A [KO:K07424], CYP2D6 [HSA:1565]
Drug interaction
Pathway map
Bile secretion
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
      D08066  Imatinib (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Multitargeted Kinase Inhibitors, Bcr-Abl / c-kit Receptor Tyrosine Kinase 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 [HSA:5156] [KO:K04363]
     Imatinib [ATC:L01XE01]
      D08066  Imatinib (INN)
    PDGFRB tyrosine kinase [HSA:5159] [KO:K05089]
     Imatinib [ATC:L01XE01]
      D08066  Imatinib (INN)
    c-KIT tyrosine kinase [HSA:3815] [KO:K05091]
     Imatinib [ATC:L01XE01]
      D08066  Imatinib (INN)
 Protein kinases
  Tyrosine protein kinases
   Abl family
    Bcr-Abl tyrosine kinase [HSA:25] [KO:K06619]
     Imatinib [ATC:L01XE01]
      D08066  Imatinib (INN)
Antineoplastics [BR:br08308]
 Molecularly targeted agents
  Receptor tyrosine kinase inhibitors
   Imatinib [ATC:L01XE01]
    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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