KEGG   DRUG: D10064Help
Entry
D10064                      Drug                                   

Name
Dabrafenib (USAN)
Formula
C23H20F3N5O2S2
Exact mass
519.1011
Mol weight
519.5624
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Remark
ATC code: 
Drug group: 
Target
BRAF inhibitor [HSA:673] [KO:K04365]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05218  Melanoma  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2C8 [HSA:1558], CYP2C9 [HSA:1559], CYP2C19 [HSA:1557], CYP2B6 [HSA:1555]
Interaction
Genomic biomarker: BRAF [HSA:673], G6PD [HSA:2539]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE23 Dabrafenib
      D10064  Dabrafenib (USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Dabrafenib
    D10064  Dabrafenib (USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: TKL group
   RAF family
    BRAF
     Dabrafenib
      D10064  Dabrafenib (USAN)
Antineoplastics [BR:br08308]
 Molecularly targeted agents
  Other
   Dabrafenib
    D10064  Dabrafenib (USAN)
BRITE hierarchy
Other DBs
CAS: 
1195765-45-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        35
            1   C8y C    26.9500  -34.2300
            2   C8y C    26.9500  -35.6300
            3   C8x C    28.1624  -36.3300
            4   C8x C    29.3749  -35.6300
            5   C8x C    29.3749  -34.2300
            6   C8y C    28.1624  -33.5300
            7   X   F    28.1624  -32.1302
            8   X   F    25.7376  -36.3300
            9   S4a S    25.7376  -33.5300
            10  N1b N    24.5421  -34.2204
            11  C8y C    23.3547  -33.5349
            12  C8x C    23.3546  -32.1302
            13  C8x C    22.1421  -31.4303
            14  C8x C    20.9297  -32.1304
            15  C8y C    20.9298  -33.5351
            16  C8y C    22.1423  -34.2350
            17  X   F    22.1424  -35.6298
            18  C8y C    19.7198  -34.2339
            19  N5x N    18.5913  -33.4297
            20  C8y C    17.4817  -34.2554
            21  S2x S    17.9241  -35.5658
            22  C8y C    19.3071  -35.5500
            23  C8y C    20.1516  -36.6862
            24  C8x C    19.4315  -37.8755
            25  C8x C    20.1072  -39.1017
            26  N5x N    21.5069  -39.1296
            27  C8y C    22.2263  -37.9391
            28  N5x N    21.5506  -36.7130
            29  C1d C    16.1552  -33.8409
            30  C1a C    15.1487  -34.7675
            31  C1a C    15.8425  -32.4488
            32  C1a C    14.8029  -33.4785
            33  N1a N    23.6597  -37.9677
            34  O3c O    24.7477  -32.5401
            35  O3c O    26.7275  -32.5401
BOND        38
            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     6   7 1
            8     2   8 1
            9     1   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   16  17 1
            19   15  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 1
            24   18  22 2
            25   22  23 1
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   23  28 2
            32   20  29 1
            33   29  30 1
            34   29  31 1
            35   29  32 1
            36   27  33 1
            37    9  34 2
            38    9  35 2

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