KEGG   DRUG: D09666Help
Entry
D09666                      Drug                                   

Name
Selumetinib (USAN/INN)
Formula
C17H15BrClFN4O3
Exact mass
456
Mol weight
457.6814
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Target
MEK1/2 inhibitor [HSA:5604 5605] [KO:K04368 K04369]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: STE group
   STE7 family
    MEK1/2 [HSA:5604 5605] [KO:K04368 K04369]
     Selumetinib
      D09666  Selumetinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
606143-52-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        27
            1   C8y C    27.5800  -23.9400
            2   C8y C    27.5800  -25.3400
            3   C8x C    26.3900  -26.0400
            4   C8y C    25.1300  -25.3400
            5   C8y C    25.1300  -23.9400
            6   C8y C    26.3900  -23.2400
            7   N5x N    28.9100  -23.5200
            8   C8x C    29.7500  -24.6400
            9   N4y N    28.9100  -25.8300
            10  X   F    26.3900  -21.8400
            11  N1b N    23.9400  -23.2400
            12  C5a C    23.9400  -26.1100
            13  N1b N    22.6800  -25.4100
            14  O5a O    23.9400  -27.5100
            15  O2a O    21.5600  -26.0400
            16  C1b C    20.3000  -25.4100
            17  C8y C    23.9400  -21.8400
            18  C8y C    22.7500  -21.1400
            19  C8x C    22.7500  -19.7400
            20  C8y C    23.9400  -19.0400
            21  C8x C    25.1300  -19.7400
            22  C8x C    25.1300  -21.1400
            23  X   Br   23.9400  -17.6400
            24  X   Cl   21.4900  -21.8400
            25  C1a C    29.3300  -27.1600
            26  C1b C    19.1100  -26.0400
            27  O1a O    17.9200  -25.4100
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     1   7 1
            8     7   8 2
            9     8   9 1
            10    2   9 1
            11    6  10 1
            12    5  11 1
            13    4  12 1
            14   12  13 1
            15   12  14 2
            16   13  15 1
            17   15  16 1
            18   11  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   20  23 1
            26   18  24 1
            27    9  25 1
            28   16  26 1
            29   26  27 1

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