KEGG   DRUG: Cobimetinib
Entry
D10405                      Drug                                   
Name
Cobimetinib (USAN/INN)
Formula
C21H21F3IN3O2
Exact mass
531.0631
Mol weight
531.31
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
Target
MAP2K1 (MEK1) [HSA:5604] [KO:K04368]
MAP2K2 (MEK2) [HSA:5605] [KO:K04369]
  Pathway
hsa04010  MAPK 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
     L01EE02 Cobimetinib
      D10405  Cobimetinib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03137  MEK inhibitor
   DG01825  Cobimetinib
    D10405  Cobimetinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   STE group
    MAP2K1 (MEK1)
     D10405  Cobimetinib (USAN/INN)
    MAP2K2 (MEK2)
     D10405  Cobimetinib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03137  MEK inhibitor
   DG01825  Cobimetinib
Other DBs
CAS: 934660-93-2
PubChem: 172232498
ChEBI: 90851
PDB-CCD: EUI[PDBj]
KCF data

ATOM        30
            1   C8x C    14.1897  -13.3942
            2   C8y C    14.1897  -14.7916
            3   C8y C    15.3999  -15.4903
            4   C8y C    16.6102  -14.7916
            5   C8y C    16.6102  -13.3942
            6   C8x C    15.3999  -12.6955
            7   C5a C    17.8390  -12.6845
            8   N1y N    19.0420  -13.3789
            9   O5a O    17.8387  -11.2982
            10  X   F    15.3999  -16.8875
            11  X   F    12.9796  -15.4903
            12  N1b N    17.8390  -15.5013
            13  C8y C    17.8390  -16.8987
            14  C8x C    16.6217  -17.6016
            15  C8x C    16.6218  -18.9990
            16  C8y C    17.8321  -19.6976
            17  C8x C    19.0494  -18.9947
            18  C8y C    19.0493  -17.5973
            19  X   F    20.2877  -16.8820
            20  X   I    17.8321  -21.0800
            21  C1x C    19.4055  -14.7347
            22  C1z C    20.7613  -14.3712
            23  C1x C    20.3978  -13.0154
            24  C1y C    21.9694  -15.0684
            25  N1x N    21.9697  -16.4683
            26  C1x C    23.1800  -17.1667
            27  C1x C    24.3901  -16.4678
            28  C1x C    24.3898  -15.0679
            29  C1x C    23.1794  -14.3694
            30  O1a O    20.7613  -15.7686
BOND        33
            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     5   7 1
            8     7   8 1
            9     7   9 2
            10    3  10 1
            11    2  11 1
            12    4  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   18  19 1
            21   16  20 1
            22    8  21 1
            23   21  22 1
            24   22  23 1
            25    8  23 1
            26   24  22 1 #Down
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   24  29 1
            33   22  30 1

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Ontology (3)   
   KEGG BRITE (3)   
Drug (1)   
   KEGG DGROUP (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (4)   
   KEGG ORTHOLOGY (2)   
   KEGG GENES (2)   
All databases (11)   

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