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
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

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