KEGG   DRUG: Dasatinib
Entry
D06414                      Drug                                   
Name
Dasatinib (USAN);
Dasatinib hydrate (JAN);
Sprycel (TN)
Product
SPRYCEL (E.R. Squibb & Sons)
Formula
C22H26ClN7O2S. H2O
Exact mass
505.1663
Mol weight
506.0208
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG03161  BCR-ABL inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02950  FMO3 substrate
 DG02924  UGT substrate
Remark
Therapeutic category: 4291
ATC code: L01EA02
Chemical structure group: DG00714
Product (DG00714): D03658<JP> D06414<JP/US>
Efficacy
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_VAR:25v1] [HSA:25] [KO:K06619]
KIT (CD117) [HSA:3815] [KO:K05091]
SRC [HSA:6714] [KO:K05704]
LCK [HSA:3932] [KO:K05856]
YES1 [HSA:7525] [KO:K05705]
FYN [HSA:2534] [KO:K05703]
EPHA2 [HSA:1969] [KO:K05103]
PDGFRB [HSA:5159] [KO:K05089]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04370  VEGF signaling pathway
hsa05200  Pathways in cancer
hsa05220  Chronic myeloid leukemia
Metabolism
Enzyme: CYP3A4 [HSA:1576], FMO3 [HSA:2328], UGT [KO:K00699]
Interaction
Structure map
map07045  Antineoplastics - protein kinase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EA BCR-ABL tyrosine kinase inhibitors
     L01EA02 Dasatinib
      D06414  Dasatinib (USAN) <JP/US>
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)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03161  BCR-ABL inhibitor
    DG00714  Dasatinib
     D06414  Dasatinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00714  Dasatinib
     D06414  Dasatinib
  DG02950  FMO3 substrate
   DG00714  Dasatinib
    D06414  Dasatinib
  DG02924  UGT substrate
   DG00714  Dasatinib
    D06414  Dasatinib
Drug classes [BR:br08332]
 Antineoplastic
  DG03161  BCR-ABL inhibitor
   D06414  Dasatinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFRB
     D06414  Dasatinib (USAN) <JP/US>
    KIT (CD117)
     D06414  Dasatinib (USAN) <JP/US>
   EPH family
    EPHA2
     D06414  Dasatinib (USAN) <JP/US>
  Non-receptor tyrosine kinases
   SRC family
    SRC
     D06414  Dasatinib (USAN) <JP/US>
    FYN
     D06414  Dasatinib (USAN) <JP/US>
    LCK
     D06414  Dasatinib (USAN) <JP/US>
    YES1
     D06414  Dasatinib (USAN) <JP/US>
   ABL family
    BCR-ABL [HSA_VAR:25v1]
     D06414  Dasatinib (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  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
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D06414
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D06414
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03161  BCR-ABL inhibitor
    DG00714  Dasatinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00714  Dasatinib
  DG02950  FMO3 substrate
   DG00714  Dasatinib
  DG02924  UGT substrate
   DG00714  Dasatinib
Other DBs
CAS: 863127-77-9
PubChem: 47208070
ChEBI: 70839
LigandBox: D06414
KCF data

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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