KEGG   DRUG: Trametinib dimethyl sulfoxide
Entry
D10176                      Drug                                   
Name
Trametinib dimethyl sulfoxide (JAN/USAN);
Mekinist (TN);
Spexotras (TN)
Product
MEKINIST (Novartis Pharmaceuticals Corporation)
Formula
C26H23FIN5O4. C2H6OS
Exact mass
693.0918
Mol weight
693.53
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
MAP2K (MEK) [HSA:5604 5605] [KO:K04368 K04369]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04014  Ras signaling pathway
hsa05200  Pathways in cancer
hsa05216  Thyroid cancer
hsa05218  Melanoma
hsa05220  Chronic myeloid leukemia
hsa05221  Acute myeloid leukemia
hsa05223  Non-small cell lung cancer
  Network
nt06266  Non-small cell lung cancer
nt06268  Melanoma
nt06274  Thyroid cancer
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
   Multitargeted Kinase Inhibitors, BRAF
    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
    MAP2K (MEK)
     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
LinkDB
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

» Japanese version   » Back

KEGG   DRUG: Cobimetinib fumarate
Entry
D10615                      Drug                                   
Name
Cobimetinib fumarate (USAN);
Cobimetinib hemifumarate;
Cotellic (TN)
Product
COTELLIC (Genentech)
Formula
(C21H21F3IN3O2)2. C4H4O4
Exact mass
1178.1371
Mol weight
1178.69
Structure
Class
Antineoplastic
 DG03137  MEK inhibitor
Remark
ATC code: L01EE02
Chemical structure group: DG01825
Product (DG01825): D10615<US>
Efficacy
Antineoplastic, Mitogen-activated extracellular signal-regulated kinase (MEK) inhibitor
  Disease
Melanoma (BRAF mutation positive) [DS:H00038]
Target
MAP2K (MEK) [HSA:5604 5605] [KO:K04368 K04369]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04014  Ras signaling pathway
hsa05200  Pathways in cancer
hsa05218  Melanoma
  Network
nt06268  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
     L01EE02 Cobimetinib
      D10615  Cobimetinib fumarate (USAN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   MAPK/ MEK Inhibitors
    Cobimetinib
     D10615  Cobimetinib fumarate (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03137  MEK inhibitor
   DG01825  Cobimetinib
    D10615  Cobimetinib fumarate
Drug classes [BR:br08332]
 Antineoplastic
  DG03137  MEK inhibitor
   D10615  Cobimetinib fumarate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   STE group
    MAP2K (MEK)
     D10615  Cobimetinib fumarate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10615
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10615
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10615
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10615
Drug groups [BR:br08330]
 Antineoplastic
  DG03137  MEK inhibitor
   DG01825  Cobimetinib
Other DBs
CAS: 1369665-02-0
PubChem: 254741576
ChEBI: 90853
LinkDB
KCF data

ATOM        68
            1   C8x C     9.9388  -13.2290
            2   C8y C     9.9388  -14.6289
            3   C8y C    11.1287  -15.3288
            4   C8y C    12.3186  -14.6289
            5   C8y C    12.3186  -13.2290
            6   C8x C    11.1287  -12.5290
            7   C5a C    13.5785  -12.5290
            8   N1y N    14.7685  -13.2290
            9   O5a O    13.5785  -11.1291
            10  X   F    11.1287  -16.7287
            11  X   F     8.6789  -15.3288
            12  N1b N    13.5785  -15.3288
            13  C8y C    13.5785  -16.7287
            14  C8x C    12.3186  -17.4287
            15  C8x C    12.3186  -18.8286
            16  C8y C    13.5785  -19.5285
            17  C8x C    14.7685  -18.8286
            18  C8y C    14.7685  -17.4287
            19  X   F    16.0284  -16.7287
            20  X   I    13.5785  -20.9284
            21  C1x C    15.1184  -14.5589
            22  C1z C    16.5183  -14.2089
            23  C1x C    16.0984  -12.8790
            24  C1y C    17.7082  -14.9089
            25  N1x N    17.7082  -16.3088
            26  C1x C    18.8982  -17.0087
            27  C1x C    20.0881  -16.3088
            28  C1x C    20.0881  -14.9089
            29  C1x C    18.8982  -14.2089
            30  O1a O    16.5183  -15.6088
            31  O6a O    25.4782  -21.1384
            32  C6a C    26.6905  -20.4385
            33  C2b C    27.9029  -21.1384
            34  C2b C    29.1153  -20.4385
            35  C6a C    30.3276  -21.1384
            36  O6a O    30.3276  -22.5383
            37  O6a O    31.5399  -20.4385
            38  O6a O    26.6905  -19.0386
            39  C8x C     9.9388  -13.2290
            40  C8y C     9.9388  -14.6289
            41  C8y C    11.1287  -15.3288
            42  C8y C    12.3186  -14.6289
            43  C8y C    12.3186  -13.2290
            44  C8x C    11.1287  -12.5290
            45  C5a C    13.5785  -12.5290
            46  N1y N    14.7685  -13.2290
            47  C1x C    15.1184  -14.5589
            48  C1z C    16.5183  -14.2089
            49  C1x C    16.0984  -12.8790
            50  C1y C    17.7082  -14.9089
            51  N1x N    17.7082  -16.3088
            52  C1x C    18.8982  -17.0087
            53  C1x C    20.0881  -16.3088
            54  C1x C    20.0881  -14.9089
            55  C1x C    18.8982  -14.2089
            56  O1a O    16.5183  -15.6088
            57  O5a O    13.5785  -11.1291
            58  N1b N    13.5785  -15.3288
            59  C8y C    13.5785  -16.7287
            60  C8x C    12.3186  -17.4287
            61  C8x C    12.3186  -18.8286
            62  C8y C    13.5785  -19.5285
            63  C8x C    14.7685  -18.8286
            64  C8y C    14.7685  -17.4287
            65  X   F    16.0284  -16.7287
            66  X   I    13.5785  -20.9284
            67  X   F    11.1287  -16.7287
            68  X   F     8.6789  -15.3288
BOND        73
            1    31  32 1
            2    32  33 1
            3    33  34 2
            4    34  35 1
            5    35  36 1
            6    35  37 2
            7    32  38 2
            8     1   2 2
            9     2   3 1
            10    3   4 2
            11    4   5 1
            12    5   6 2
            13    1   6 1
            14    5   7 1
            15    7   8 1
            16    7   9 2
            17    3  10 1
            18    2  11 1
            19    4  12 1
            20   12  13 1
            21   13  14 2
            22   14  15 1
            23   15  16 2
            24   16  17 1
            25   17  18 2
            26   13  18 1
            27   18  19 1
            28   16  20 1
            29    8  21 1
            30   21  22 1
            31   22  23 1
            32    8  23 1
            33   24  22 1 #Down
            34   24  25 1
            35   25  26 1
            36   26  27 1
            37   27  28 1
            38   28  29 1
            39   24  29 1
            40   22  30 1
            41   39  40 2
            42   40  41 1
            43   41  42 2
            44   42  43 1
            45   43  44 2
            46   39  44 1
            47   43  45 1
            48   45  46 1
            49   45  57 2
            50   41  67 1
            51   40  68 1
            52   42  58 1
            53   58  59 1
            54   59  60 2
            55   60  61 1
            56   61  62 2
            57   62  63 1
            58   63  64 2
            59   59  64 1
            60   64  65 1
            61   62  66 1
            62   46  47 1
            63   47  48 1
            64   48  49 1
            65   46  49 1
            66   50  48 1 #Down
            67   50  51 1
            68   51  52 1
            69   52  53 1
            70   53  54 1
            71   54  55 1
            72   50  55 1
            73   48  56 1
BRACKET     1     6.0900  -22.4700    6.0900   -9.8700
            1    22.1200   -9.8700   22.1200  -22.4700
            1  2
 ORIGINAL  1    1   2   3   4   5   6   7   8  21  22  23  24  25  26  27  28
            1   29  30   9  12  13  14  15  16  17  18  19  20  10  11
 REPEAT    1   39  40  41  42  43  44  45  46  47  48  49  50  51  52  53  54
            1   55  56  57  58  59  60  61  62  63  64  65  66  67  68

» Japanese version   » Back

KEGG   DRUG: Binimetinib
Entry
D10604                      Drug                                   
Name
Binimetinib (JAN/USAN/INN);
Mektovi (TN)
Product
MEKTOVI (Array BioPharma)
Formula
C17H15BrF2N4O3
Exact mass
440.0296
Mol weight
441.23
Structure
Simcomp
Class
Antineoplastic
 DG03137  MEK inhibitor
Remark
Therapeutic category: 4291
ATC code: L01EE03
Product: D10604<JP/US>
Efficacy
Antineoplastic, Mitogen-activated extracellular signal-regulated kinase (MEK) inhibitor
  Disease
Melanoma (BRAF mutation positive) [DS:H00038]
Target
MAP2K1 (MEK1) [HSA:5604] [KO:K04368]
MAP2K2 (MEK2) [HSA:5605] [KO:K04369]
  Pathway
hsa04010  MAPK signaling pathway
hsa04919  Thyroid hormone signaling pathway
hsa05200  Pathways in cancer
hsa05210  Colorectal cancer
hsa05216  Thyroid cancer
hsa05218  Melanoma
  Network
nt06260  Colorectal cancer
nt06268  Melanoma
nt06274  Thyroid cancer
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
     L01EE03 Binimetinib
      D10604  Binimetinib (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   MAPK/ MEK Inhibitors
    Binimetinib
     D10604  Binimetinib (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10604  Binimetinib (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03137  MEK inhibitor
   D10604  Binimetinib
Drug classes [BR:br08332]
 Antineoplastic
  DG03137  MEK inhibitor
   D10604  Binimetinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   STE group
    MAP2K1 (MEK1)
     D10604  Binimetinib (JAN/USAN/INN) <JP/US>
    MAP2K2 (MEK2)
     D10604  Binimetinib (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10604
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10604
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10604
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10604
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10604
Other DBs
CAS: 606143-89-9
PubChem: 254741566
ChEBI: 145371
PDB-CCD: QO7[PDBj]
LinkDB
KCF data

ATOM        27
            1   C8y C    12.9500  -16.7300
            2   C8y C    12.9500  -18.1300
            3   C8x C    14.1624  -18.8300
            4   C8y C    15.3749  -18.1300
            5   C8y C    15.3749  -16.7300
            6   C8y C    14.1624  -16.0300
            7   N4y N    16.7064  -18.5626
            8   C8x C    17.5293  -17.4300
            9   N5x N    16.7064  -16.2974
            10  X   F    14.1624  -14.6302
            11  N1b N    11.7376  -16.0300
            12  C5a C    11.7376  -18.8300
            13  N1b N    10.5421  -18.1396
            14  O5a O    11.7375  -20.2298
            15  O2a O     9.3547  -18.8251
            16  C1b C     8.1635  -18.1371
            17  C1b C     6.9740  -18.8238
            18  O1a O     5.7839  -18.1365
            19  C8y C    11.7375  -14.6302
            20  C8x C    12.9667  -13.9202
            21  C8x C    12.9665  -12.5202
            22  C8y C    11.7539  -11.8204
            23  C8x C    10.5247  -12.5304
            24  C8y C    10.5249  -13.9304
            25  X   Br   11.7538  -10.4300
            26  X   F     9.2942  -14.6414
            27  C1a C    17.1375  -19.8894
BOND        29
            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     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    6  10 1
            12    1  11 1
            13    2  12 1
            14   12  13 1
            15   12  14 2
            16   13  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   11  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   24  26 1
            29    7  27 1

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