KEGG   DRUG: DasatinibHelp
Entry
D03658                      Drug                                   

Name
Dasatinib (INN)
Formula
C22H26ClN7O2S
Exact mass
487.1557
Mol weight
488.0055
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02021  Src inhibitor
 DG02022  Non-receptor tyrosine kinase inhibitor
  DG02021  Src inhibitor
Remark
ATC code: L01XE06
Chemical structure group: DG00714
Product (DG00714): D06414<JP/US>
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Target
BCR-ABL [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: CYP3A [HSA:1576 1577 1551], FMO3 [HSA:2328], UGT [KO:K00699]
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
     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]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFRB
     D03658  Dasatinib (INN)
    KIT (CD117)
     D03658  Dasatinib (INN)
   EPH family
    EPHA2
     D03658  Dasatinib (INN)
  Non-receptor tyrosine kinases
   SRC family
    SRC
     D03658  Dasatinib (INN)
    FYN
     D03658  Dasatinib (INN)
    LCK
     D03658  Dasatinib (INN)
    YES1
     D03658  Dasatinib (INN)
   ABL family
    BCR-ABL
     D03658  Dasatinib (INN)
BRITE hierarchy
Other DBs
CAS: 302962-49-8
PubChem: 17397755
ChEBI: 49375
ChEMBL: CHEMBL1421
DrugBank: DB01254
PDB-CCD: 1N1[PDBj]
LigandBox: D03658
NIKKAJI: J2.086.852J
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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