KEGG   DRUG: DasatinibHelp
Entry
D06414                      Drug                                   

Name
Dasatinib (USAN);
Dasatinib hydrate (JAN);
Sprycel (TN)
Product
Formula
C22H26ClN7O2S. H2O
Exact mass
505.1663
Mol weight
506.0208
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02021  Src inhibitor
Unclassified
 DG02022  Non-receptor tyrosine kinase inhibitor
  DG02021  Src inhibitor
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antineoplastic, Tyrosine kinase inhibitor
  Disease
Chronic myeloid leukemia (Philadelphia chromosome positive) [DS:H00004]
Acute lymphoblastic leukemia (Philadelphia chromosome positive) [DS:H00001]
Target
BCR-ABL [HSA:25] [KO:K06619];
KIT (CD117) [HSA:3815] [KO:K05091];
SRC [HSA:6714] [KO:K05704];
LCK [HSA:3932] [KO:K05856];
YES [HSA:7525] [KO:K05705];
FYN [HSA:2534] [KO:K05703];
EPHA2 [HSA:1969] [KO:K05103];
PDGFRB [HSA:5159] [KO:K05089]
  Pathway
MAPK signaling pathway
ErbB signaling pathway
Calcium signaling pathway
Cytokine-cytokine receptor interaction
VEGF signaling pathway
Pathways in cancer
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
      D06414  Dasatinib (USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Dasatinib
    D06414  Dasatinib (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D06414  Dasatinib (USAN); Dasatinib hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    PDGFRB tyrosine kinase
     Dasatinib
      D06414  Dasatinib (USAN)
    c-KIT tyrosine kinase
     Dasatinib
      D06414  Dasatinib (USAN)
   RTK class VIII (EPH receptor family)
    Eph receptor A2
     Dasatinib
      D06414  Dasatinib (USAN)
 Protein kinases
  Tyrosine protein kinases
   Abl family
    Bcr-Abl tyrosine kinase
     Dasatinib
      D06414  Dasatinib (USAN)
     Dasatinib
      D06414  Dasatinib (USAN)
   Src family
    tyrosine-protein kinase Fyn
     Dasatinib
      D06414  Dasatinib (USAN)
    lymphocyte cell-specific protein tyrosine kinase
     Dasatinib
      D06414  Dasatinib (USAN)
    tyrosine-protein kinase Src
     Dasatinib
      D06414  Dasatinib (USAN)
    tyrosine-protein kinase Yes
     Dasatinib
      D06414  Dasatinib (USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A
   Dasatinib
    D06414  Dasatinib (USAN)
Antineoplastics [br08340.html]
 D06414
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D06414
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D06414
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D06414
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D06414
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D06414
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Companion diagnostics
  D06414
BRITE hierarchy
Other DBs
CAS: 
863127-77-9
PubChem: 
ChEBI: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8y C    13.3022   -5.7416
            2   N5x N    13.3022   -7.1418
            3   C8y C    14.5147   -7.8419
            4   N5x N    15.7274   -7.1418
            5   C8y C    15.7274   -5.7416
            6   C8x C    14.5147   -5.0414
            7   N1b N    12.0896   -5.0414
            8   C8y C    10.8769   -5.7441
            9   S2x S     9.7404   -4.9261
            10  C8y C     8.6113   -5.7541
            11  C8x C     9.0499   -7.0839
            12  N5x N    10.4500   -7.0777
            13  C1a C    14.5147   -9.2418
            14  N1y N    16.9587   -5.0304
            15  C1x C    18.1641   -5.7263
            16  C1x C    19.3766   -5.0260
            17  N1y N    19.3766   -3.6258
            18  C1x C    18.1712   -2.9300
            19  C1x C    16.9586   -3.6302
            20  C1b C    20.5947   -2.9223
            21  C1b C    21.8068   -3.6219
            22  O1a O    22.9858   -2.9409
            23  C5a C     7.4654   -4.9082
            24  N1b N     6.1887   -5.4834
            25  C8y C     5.0522   -4.6655
            26  O5a O     7.4740   -3.5160
            27  C8y C     5.0522   -3.2653
            28  C8x C     3.8396   -2.5652
            29  C8x C     2.6270   -3.2653
            30  C8x C     2.6270   -4.6655
            31  C8y C     3.8396   -5.3656
            32  X   Cl    6.2453   -2.5768
            33  C1a C     3.8394   -6.7900
            34  O0  O    20.3032   -8.7519
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     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13    8  12 2
            14    3  13 1
            15    5  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22   17  20 1
            23   20  21 1
            24   21  22 1
            25   10  23 1
            26   23  24 1
            27   24  25 1
            28   23  26 2
            29   25  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   25  31 2
            35   27  32 1
            36   31  33 1

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