KEGG   DRUG: D10104Help
Entry
D10104                      Drug                                   

Name
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: 
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 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 [HSA:673] [KO:K04365]
     Dabrafenib
      D10104  Dabrafenib mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
1195768-06-9
PubChem: 
LigandBox: 
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

» Japanese version   » Back

DBGET integrated database retrieval system