KEGG   DRUG: D10104Help
Entry
D10104                      Drug                                   

Name
Dabrafenib mesilate (JAN);
Dabrafenib mesylate (USAN);
Tafinlar (TN)
Product
Formula
C23H20F3N5O2S2. CH4SO3
Exact mass
615.0892
Mol weight
615.6681
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]
CYP inhibition: CYP3A4 [HSA:1576], CYP2C8 [HSA:1558]
CYP induction: CYP3A4 [HSA:1576], CYP2C8 [HSA:1558]
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
      D10104  Dabrafenib mesilate (JAN); Dabrafenib mesylate (USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Dabrafenib
    D10104  Dabrafenib mesylate (USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: TKL group
   RAF family
    BRAF
     Dabrafenib
      D10104  Dabrafenib mesylate (USAN)
Antineoplastics [BR:br08308]
 Molecularly targeted agents
  Other
   Dabrafenib
    D10104  Dabrafenib mesylate (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2B6
   Dabrafenib
    D10104  Dabrafenib mesylate (USAN)
  CYP2C8
   Dabrafenib
    D10104  Dabrafenib mesylate (USAN)
  CYP2C9
   Dabrafenib
    D10104  Dabrafenib mesylate (USAN)
  CYP2C19
   Dabrafenib
    D10104  Dabrafenib mesylate (USAN)
  CYP3A4
   Dabrafenib
    D10104  Dabrafenib mesylate (USAN)
 Inhbitors
  CYP2C8
   Dabrafenib
    D10104  Dabrafenib mesylate (USAN)
  CYP3A4
   Dabrafenib
    D10104  Dabrafenib mesylate (USAN)
 Inducers
  CYP2C8
   Dabrafenib
    D10104  Dabrafenib mesylate (USAN)
  CYP3A4
   Dabrafenib
    D10104  Dabrafenib mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
1195768-06-9
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        40
            1   C8y C    29.4000  -20.0900
            2   C8y C    29.4000  -21.4900
            3   C8x C    30.5900  -22.1900
            4   C8x C    31.8500  -21.4900
            5   C8x C    31.8500  -20.0900
            6   C8y C    30.5900  -19.3900
            7   X   F    30.5900  -17.9900
            8   X   F    28.2100  -22.1900
            9   S4a S    28.2100  -19.3900
            10  N1b N    26.9500  -20.0900
            11  C8y C    25.7600  -19.3900
            12  C8x C    25.7600  -17.9900
            13  C8x C    24.5700  -17.2900
            14  C8x C    23.3800  -17.9900
            15  C8y C    23.3800  -19.3900
            16  C8y C    24.5700  -20.0900
            17  X   F    24.5700  -21.4900
            18  C8y C    22.1200  -20.0900
            19  N5x N    21.0000  -19.3200
            20  C8y C    19.8800  -20.0900
            21  S2x S    20.3700  -21.4200
            22  C8y C    21.7000  -21.4200
            23  C8y C    22.6100  -22.5400
            24  C8x C    21.8400  -23.7300
            25  C8x C    22.5400  -24.9900
            26  N5x N    23.9400  -24.9900
            27  C8y C    24.6400  -23.8000
            28  N5x N    24.0100  -22.5400
            29  C1d C    18.5500  -19.7400
            30  C1a C    17.5700  -20.6500
            31  C1a C    18.2700  -18.3400
            32  C1a C    17.2200  -19.3200
            33  N1a N    26.1100  -23.8700
            34  O1d O    27.1600  -18.4100
            35  O1d O    29.1900  -18.4100
            36  S4a S    35.7000  -20.6500
            37  O1d O    35.7000  -19.2500
            38  O1d O    35.7000  -22.0500
            39  O1d O    37.1000  -20.6500
            40  C1a C    34.3000  -20.6500
BOND        42
            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
            39   36  37 2
            40   36  38 2
            41   36  39 1
            42   36  40 1

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