KEGG   DRUG: BosutinibHelp
Entry
D03252                      Drug                                   

Name
Bosutinib (USAN)
Formula
C26H29Cl2N5O3
Exact mass
529.1647
Mol weight
530.4462
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02021  Src inhibitor
 DG02022  Non-receptor tyrosine kinase inhibitor
  DG02021  Src inhibitor
Remark
ATC code: L01XE14
Chemical structure group: DG00718
Product (DG00718): D09728<JP/US>
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Target
ABL1 [HSA:25] [KO:K06619]
SRC [HSA:6714] [KO:K05704]
  Pathway
hsa04012  ErbB 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
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE14 Bosutinib
      D03252  Bosutinib (USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Bosutinib
    D03252  Bosutinib (USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   SRC family
    SRC
     D03252  Bosutinib (USAN)
   ABL family
    ABL1
     D03252  Bosutinib (USAN)
BRITE hierarchy
Other DBs
CAS: 380843-75-4
PubChem: 17397405
ChEBI: 39112
ChEMBL: CHEMBL288441
PDB-CCD: DB8[PDBj]
LigandBox: D03252
NIKKAJI: J1.678.415J
LinkDB All DBs
KCF data Show

ATOM        36
            1   C8x C     9.8958  -21.5428
            2   C8y C     9.8958  -22.9346
            3   C8y C    11.1012  -23.6306
            4   C8y C    12.3066  -22.9346
            5   C8y C    12.3066  -21.5428
            6   N5x N    11.1012  -20.8469
            7   C8x C    13.5120  -23.6306
            8   C8y C    14.7174  -22.9346
            9   C8y C    14.7174  -21.5428
            10  C8x C    13.5120  -20.8469
            11  N1b N    11.1012  -25.0225
            12  O2a O    15.9254  -20.8471
            13  C1b C    17.1327  -21.5441
            14  C8y C    12.3073  -25.7188
            15  C8y C    12.3073  -27.1103
            16  C8x C    13.5127  -27.8062
            17  C8y C    14.7180  -27.1103
            18  C8y C    14.7180  -25.7188
            19  C8x C    13.5127  -25.0229
            20  X   Cl   15.9256  -27.8074
            21  C1b C    18.3178  -20.8604
            22  C1b C    19.5241  -21.5574
            23  N1y N    20.6976  -20.8803
            24  C1x C    21.8864  -21.5674
            25  C1x C    23.0930  -20.8714
            26  N1y N    23.0936  -19.4785
            27  C1x C    21.9048  -18.7914
            28  C1x C    20.6981  -19.4874
            29  O2a O    15.9124  -23.6600
            30  C1a C    17.1249  -22.9600
            31  X   Cl   11.1131  -27.7995
            32  O2a O    15.9290  -25.0196
            33  C1a C    17.1512  -25.7255
            34  C3b C     8.6529  -23.6519
            35  N3a N     7.4405  -24.3519
            36  C1a C    24.3192  -18.7718
BOND        39
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    3  11 1
            13    9  12 1
            14   12  13 1
            15   11  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   17  20 1
            23   13  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   23  28 1
            32    8  29 1
            33   29  30 1
            34   15  31 1
            35   18  32 1
            36   32  33 1
            37    2  34 1
            38   34  35 3
            39   26  36 1

» Japanese version   » Back

DBGET integrated database retrieval system