KEGG   DRUG: Imatinib
Entry
D08066                      Drug                                   

Name
Imatinib (INN);
Glamox (TN)
Formula
C29H31N7O
Exact mass
493.259
Mol weight
493.6027
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG02913  CYP3A4 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
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
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08066
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
KCF data

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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