KEGG   DRUG: Trametinib
Entry
D10175                      Drug                                   
Name
Trametinib (USAN)
Formula
C26H23FIN5O4
Exact mass
615.0779
Mol weight
615.3948
Structure
Simcomp
Class
Antineoplastic
 DG03137  MEK inhibitor
Remark
ATC code: L01EE01
Chemical structure group: DG00723
Product (DG00723): D10176<JP/US>
Efficacy
Antineoplastic, Mitogen-activated extracellular signal-regulated kinase (MEK) inhibitor
Target
MAP2K1 (MEK1) [HSA:5604] [KO:K04368]
MAP2K2 (MEK2) [HSA:5605] [KO:K04369]
  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
      D10175  Trametinib (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03137  MEK inhibitor
   DG00723  Trametinib
    D10175  Trametinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   STE group
    MAP2K1 (MEK1)
     D10175  Trametinib (USAN)
    MAP2K2 (MEK2)
     D10175  Trametinib (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03137  MEK inhibitor
   DG00723  Trametinib
Other DBs
CAS: 871700-17-3
PubChem: 135626893
ChEBI: 75998
PDB-CCD: QOM[PDBj]
LigandBox: D10175
KCF data

ATOM        37
            1   C8y C    23.0300  -23.1700
            2   C8y C    23.0300  -24.5700
            3   C8y C    24.2200  -25.2700
            4   N4y N    25.4100  -24.5700
            5   C8y C    25.4100  -23.1700
            6   C8y C    24.2200  -22.4700
            7   C8y C    24.2200  -21.0700
            8   N4y N    23.0300  -20.3700
            9   C8y C    21.7700  -21.0700
            10  N4y N    21.7700  -22.4700
            11  C1y C    23.0300  -18.9700
            12  O5x O    25.4100  -20.3700
            13  O5x O    20.5800  -20.3700
            14  O5x O    24.2200  -26.7400
            15  C1a C    26.6700  -25.3400
            16  N1b N    26.6700  -22.4700
            17  C8y C    27.8600  -23.1700
            18  C8x C    27.8600  -24.5700
            19  C8x C    29.1200  -25.2700
            20  C8y C    30.3100  -24.5700
            21  C8x C    30.3100  -23.1700
            22  C8y C    29.1200  -22.4700
            23  X   F    29.1200  -21.0700
            24  X   I    31.5000  -25.2700
            25  C1a C    21.7700  -25.2700
            26  C8y C    20.5800  -23.1700
            27  C8x C    19.3900  -22.4700
            28  C8y C    18.2000  -23.1700
            29  C8x C    18.2000  -24.6400
            30  C8x C    19.3900  -25.2700
            31  C8x C    20.5800  -24.5700
            32  N1b N    16.9400  -22.4700
            33  C5a C    15.7500  -23.1700
            34  C1a C    14.5600  -22.4700
            35  O5a O    15.7500  -24.5700
            36  C1x C    23.7300  -17.7800
            37  C1x C    22.3300  -17.7800
BOND        41
            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

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