Trametinib dimethyl sulfoxide


Entry
D10176                      Drug                                   
Name
Trametinib dimethyl sulfoxide (JAN/USAN);
Mekinist (TN)
Product
MEKINIST (Novartis Pharmaceuticals Corporation)
Formula
C26H23FIN5O4. C2H6OS
Exact mass
693.0918
Mol weight
693.5282
Structure
Simcomp
Class
Antineoplastic
 DG03137  MEK inhibitor
Remark
Therapeutic category: 4291
ATC code: L01EE01
Chemical structure group: DG00723
Product (DG00723): D10176<JP/US>
Efficacy
Antineoplastic, Mitogen-activated extracellular signal-regulated kinase (MEK) 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
MAP2K1 (MEK1) [HSA:5604] [KO:K04368]
MAP2K2 (MEK2) [HSA:5605] [KO:K04369]
  Network
N10008  Kinase inhibitor to MEK downstream of BRAF mutation
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05218  Melanoma
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EE Mitogen-activated protein kinase (MEK) inhibitors
     L01EE01 Trametinib
      D10176  Trametinib dimethyl sulfoxide (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Trametinib
    D10176  Trametinib dimethyl sulfoxide (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10176  Trametinib dimethyl sulfoxide (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03137  MEK inhibitor
   DG00723  Trametinib
    D10176  Trametinib dimethyl sulfoxide
Drug classes [BR:br08332]
 Antineoplastic
  DG03137  MEK inhibitor
   D10176  Trametinib dimethyl sulfoxide
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   STE group
    MAP2K1 (MEK1)
     D10176  Trametinib dimethyl sulfoxide (JAN/USAN) <JP/US>
    MAP2K2 (MEK2)
     D10176  Trametinib dimethyl sulfoxide (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10176
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10176
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10176
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10176
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10176
Drug groups [BR:br08330]
 Antineoplastic
  DG03137  MEK inhibitor
   DG00723  Trametinib
Other DBs
CAS: 1187431-43-1
PubChem: 135626894
ChEBI: 75991
LigandBox: D10176
KCF data

ATOM        41
            1   C8y C    23.1000  -23.8000
            2   C8y C    23.1000  -25.1300
            3   C8y C    24.2200  -25.8300
            4   N4y N    25.4100  -25.1300
            5   C8y C    25.4100  -23.8000
            6   C8y C    24.2200  -23.1000
            7   C8y C    24.2200  -21.7000
            8   N4y N    23.1000  -21.0000
            9   C8y C    21.8400  -21.7000
            10  N4y N    21.8400  -23.1000
            11  C1y C    23.1000  -19.6000
            12  O5x O    25.4100  -21.0000
            13  O5x O    20.6500  -21.0000
            14  O5x O    24.2200  -27.3000
            15  C1a C    26.6700  -25.9000
            16  N1b N    26.6700  -23.1000
            17  C8y C    27.8600  -23.8000
            18  C8x C    27.8600  -25.1300
            19  C8x C    29.1200  -25.8300
            20  C8y C    30.3100  -25.1300
            21  C8x C    30.3100  -23.8000
            22  C8y C    29.1200  -23.1000
            23  X   F    29.1200  -21.7000
            24  X   I    31.5000  -25.8300
            25  C1a C    21.8400  -25.8300
            26  C8y C    20.6500  -23.8000
            27  C8x C    19.4600  -23.1000
            28  C8y C    18.2700  -23.8000
            29  C8x C    18.2700  -25.2000
            30  C8x C    19.4600  -25.8300
            31  C8x C    20.6500  -25.1300
            32  N1b N    17.0100  -23.1000
            33  C5a C    15.8200  -23.8000
            34  C1a C    14.6300  -23.1000
            35  O5a O    15.8200  -25.1300
            36  C1x C    23.8000  -18.4100
            37  C1x C    22.4000  -18.4100
            38  S4a S    35.9800  -24.3600
            39  C1a C    37.1924  -25.0600
            40  C1a C    34.7676  -25.0600
            41  O3c O    35.9800  -22.9600
BOND        44
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    1  10 1
            12    8  11 1
            13    7  12 2
            14    9  13 2
            15    3  14 2
            16    4  15 1
            17    5  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   22  23 1
            26   20  24 1
            27    2  25 1
            28   10  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   26  31 1
            35   28  32 1
            36   32  33 1
            37   33  34 1
            38   33  35 2
            39   36  37 1
            40   37  11 1
            41   11  36 1
            42   38  39 1
            43   38  40 1
            44   38  41 2