KEGG   DRUG: ImatinibHelp
Entry
D08066                      Drug                                   

Name
Imatinib (INN);
Glamox (TN)
Formula
C29H31N7O
Exact mass
493.259
Mol weight
493.6027
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Cyp substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A substrate
Cyp inhibitor
 DG01645  CYP2D6 inhibitor
 DG01522  CYP3A4 inhibitor
Transporter substrate
 DG01665  P-glycoprotein substrate
 DG01913  BCRP substrate
Remark
ATC code: 
Chemical group: 
Activity
Antineoplastic, Tyrosine kinase inhibitor
Target
BCR-ABL [HSA:25] [KO:K06619];
PDGFRA [HSA:5156] [KO:K04363];
PDGFRB [HSA:5159] [KO:K05089];
KIT (CD117) [HSA:3815] [KO:K05091]
  Pathway
MAPK signaling pathway
Calcium signaling pathway
Cytokine-cytokine receptor interaction
Hematopoietic cell lineage
Pathways in cancer
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)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2D6
   Imatinib
    D08066  Imatinib (INN)
  CYP3A
   Imatinib
    D08066  Imatinib (INN)
 CYP substrates
  CYP2C9
   Imatinib
    D08066  Imatinib (INN)
  CYP2D6
   Imatinib
    D08066  Imatinib (INN)
  CYP3A4
   Imatinib
    D08066  Imatinib (INN)
  CYP3A5
   Imatinib
    D08066  Imatinib (INN)
 Transporter substrates
  ABCB1
   Imatinib
    D08066  Imatinib (INN)
  ABCG2
   Imatinib
    D08066  Imatinib (INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08066
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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