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 search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Enzyme substrate
 DG01633  CYP3A substrate
Remark
ATC code: L01XE01
Chemical structure group: DG00710
Product (DG00710): D01441<JP/US>
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Target
BCR-ABL [HSA:25] [KO:K06619]
FIP1L1-PDGFRA [HSA:5156] [KO:K04363]
KIT (CD117) [HSA:3815] [KO:K05091]
  Pathway
hsa04010  MAPK signaling pathway
hsa05200  Pathways in cancer
hsa05220  Chronic myeloid leukemia
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07045  Antineoplastics - protein kinases inhibitors
Other map
map04976  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)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    FIP1L1-PDGFRA
     D08066  Imatinib (INN)
    KIT (CD117)
     D08066  Imatinib (INN)
  Non-receptor tyrosine kinases
   ABL family
    BCR-ABL
     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: 96024758
ChEBI: 45783
ChEMBL: CHEMBL941
DrugBank: DB00619
PDB-CCD: STI[PDBj]
LigandBox: D08066
NIKKAJI: J1.337.143A
LinkDB All DBs
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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