Dabrafenib mesylate


Entry
D10104                      Drug                                   
Name
Dabrafenib mesylate (USAN);
Dabrafenib mesilate (JAN);
Tafinlar (TN)
Product
TAFINLAR (Novartis Pharmaceuticals Corporation)
Formula
C23H20F3N5O2S2. CH4SO3
Exact mass
615.0892
Mol weight
615.6681
Structure
Simcomp
Class
Antineoplastic
 DG03159  BRAF inhibitor
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inducer
 DG02886  CYP2C9 inducer
 DG02853  CYP3A/CYP3A4 inducer
  DG01635  CYP3A4 inducer
Remark
Therapeutic category: 4291
ATC code: L01EC02
Chemical structure group: DG00721
Product (DG00721): D10104<JP/US>
Efficacy
Antineoplastic, BRAF kinase inhibitor
  Disease
Melanoma (BRAF mutation positive) [DS:H00038]
Non-small cell lung cancer (BRAF mutation positive) [DS:H00014]
Anaplastic thyroid cancer (BRAF mutation positive) [DS:H00032]
Target
BRAF* [HSA_VAR:673v1] [HSA:673] [KO:K04365]
  Network
N10007  Kinase inhibitor to BRAF mutation
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05218  Melanoma
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2C8 [HSA:1558]
Interaction
CYP induction: CYP3A4 [HSA:1576], CYP2C9 [HSA:1559]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EC B-Raf serine-threonine kinase (BRAF) inhibitors
     L01EC02 Dabrafenib
      D10104  Dabrafenib mesylate (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Dabrafenib
    D10104  Dabrafenib mesylate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10104  Dabrafenib mesylate (USAN); Dabrafenib mesilate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03159  BRAF inhibitor
   DG00721  Dabrafenib
    D10104  Dabrafenib mesylate
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG00721  Dabrafenib
    D10104  Dabrafenib mesylate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00721  Dabrafenib
     D10104  Dabrafenib mesylate
 Metabolizing enzyme inducer
  DG02886  CYP2C9 inducer
   DG00721  Dabrafenib
    D10104  Dabrafenib mesylate
  DG02853  CYP3A/CYP3A4 inducer
   DG01635  CYP3A4 inducer
    DG00721  Dabrafenib
     D10104  Dabrafenib mesylate
Drug classes [BR:br08332]
 Antineoplastic
  DG03159  BRAF inhibitor
   D10104  Dabrafenib mesylate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   TKL group
    BRAF* [HSA_VAR:673v1]
     D10104  Dabrafenib mesylate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10104
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10104
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10104
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10104
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10104
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10104
Drug groups [BR:br08330]
 Antineoplastic
  DG03159  BRAF inhibitor
   DG00721  Dabrafenib
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG00721  Dabrafenib
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00721  Dabrafenib
 Metabolizing enzyme inducer
  DG02886  CYP2C9 inducer
   DG00721  Dabrafenib
  DG02853  CYP3A/CYP3A4 inducer
   DG01635  CYP3A4 inducer
    DG00721  Dabrafenib
Other DBs
CAS: 1195768-06-9
PubChem: 135626822
ChEBI: 75048
LigandBox: D10104
KCF data

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