KEGG   DRUG: D03658Help
Entry
D03658                      Drug                                   

Name
Dasatinib (INN)
Formula
C22H26ClN7O2S
Exact mass
487.1557
Mol weight
488.0055
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic [DS:H00004]
Remark
ATC code: 
Drug group: 
Comment
Indication: Philadelphia chromosome-positive (Ph+) chronic myeloid leukemia (CML), Philadelphia chromosome-positive acute lymphoblastic leukemia (Ph+ ALL)
Target
Bcr-Abl tyrosine kinase inhibitor [HSA:25] [KO:K06619];
c-KIT tyrosine kinase inhibitor [HSA:3815] [KO:K05091];
src tyrosine kinase inhibitor [HSA:6714] [KO:K05704];
Eph receptor A2 antagonist [HSA:1969] [KO:K05103];
PDGFRB tyrosine kinase inhibitor [HSA:5159] [KO:K05089]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04020  Calcium signaling pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04370  VEGF signaling pathway
hsa05200  Pathways in cancer
hsa05220  Chronic myeloid leukemia  
 
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551], FMO3 [HSA:2328], UGT [KO:K00699]
Interaction
Genomic biomarker: BCR-ABL [HSA:613 25]
Drug interaction
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
     L01XE06 Dasatinib
      D03658  Dasatinib (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Dasatinib
    D03658  Dasatinib (INN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    PDGFRB tyrosine kinase
     Dasatinib
      D03658  Dasatinib (INN)
    c-KIT tyrosine kinase
     Dasatinib
      D03658  Dasatinib (INN)
   RTK class VIII (EPH receptor family)
    Eph receptor A2
     Dasatinib
      D03658  Dasatinib (INN)
 Protein kinases
  Tyrosine protein kinases
   Abl family
    Bcr-Abl tyrosine kinase
     Dasatinib
      D03658  Dasatinib (INN)
   Src family
    Src tyrosine kinase
     Dasatinib
      D03658  Dasatinib (INN)
Antineoplastics [BR:br08308]
 Molecularly targeted agents
  Receptor tyrosine kinase inhibitors
   Dasatinib
    D03658  Dasatinib (INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A
   Dasatinib
    D03658  Dasatinib (INN)
BRITE hierarchy
Other DBs
CAS: 
302962-49-8
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C8y C    29.9758  -20.2312
            2   N5x N    29.9758  -21.6365
            3   C8y C    31.1928  -22.3391
            4   N5x N    32.4099  -21.6365
            5   C8y C    32.4099  -20.2312
            6   C8x C    31.1928  -19.5285
            7   N1b N    28.7588  -19.5285
            8   N1y N    33.6457  -19.5175
            9   C1a C    31.1928  -23.7443
            10  C1x C    34.8554  -20.2158
            11  C1x C    36.0723  -19.5131
            12  N1y N    36.0723  -18.1078
            13  C1x C    34.8626  -17.4094
            14  C1x C    33.6456  -18.1122
            15  C8y C    27.5611  -20.2171
            16  S2x S    26.4562  -19.3972
            17  C8y C    25.3351  -20.1946
            18  C8x C    25.7470  -21.5073
            19  N5x N    27.1227  -21.5212
            20  C5a C    24.1269  -19.5122
            21  N1b N    22.9324  -20.2145
            22  O5a O    24.1153  -18.0801
            23  C8y C    21.6793  -19.5047
            24  C8y C    21.6676  -18.0848
            25  C8x C    20.4448  -17.3923
            26  C8x C    19.2336  -18.1050
            27  C8x C    19.2453  -19.5249
            28  C8y C    20.4681  -20.2175
            29  X   Cl   22.8702  -17.3774
            30  C1a C    20.4093  -21.5897
            31  C1b C    37.2948  -17.4017
            32  C1b C    38.5114  -18.1038
            33  O1a O    39.6948  -17.4204
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     3   9 1
            10    8  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    8  14 1
            16    7  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   15  19 2
            22   17  20 1
            23   20  21 1
            24   20  22 2
            25   21  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   24  29 1
            33   28  30 1
            34   12  31 1
            35   31  32 1
            36   32  33 1

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