KEGG   DRUG: D10426Help
Entry
D10426                      Drug                                   

Name
Pimasertib (USAN/INN)
Formula
C15H15FIN3O3
Exact mass
431.0142
Mol weight
431.2008
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Remark
Drug group: 
Target
MEK1/2 inhibitor [HSA:5604 5605] [KO:K04368 K04369]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04370  VEGF signaling pathway
hsa05200  Pathways in cancer  
 
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: STE group
   STE7 family
    MEK1/2
     Pimasertib
      D10426  Pimasertib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
1236699-92-5
PubChem: 
KCF data Show

ATOM        23
            1   C8x C    16.2704  -13.3901
            2   C8x C    16.2704  -14.7939
            3   C8y C    17.4861  -15.4957
            4   C8y C    18.7018  -14.7939
            5   C8x C    18.7018  -13.3901
            6   C8y C    17.4861  -12.6882
            7   X   I    17.4861  -11.2847
            8   N1b N    17.4861  -16.8993
            9   C8y C    16.2536  -17.6111
            10  C8x C    15.0463  -16.9141
            11  N5x N    13.8307  -17.6160
            12  C8x C    13.8308  -19.0198
            13  C8x C    15.0379  -19.7167
            14  C8y C    16.2536  -19.0148
            15  C5a C    17.4776  -19.7215
            16  N1b N    18.6890  -19.0222
            17  C1b C    19.8732  -19.7059
            18  C1c C    21.0709  -19.0142
            19  C1b C    22.2619  -19.7019
            20  O1a O    23.4562  -19.0121
            21  O5a O    17.4774  -21.1107
            22  X   F    19.9362  -15.5068
            23  O1a O    21.0710  -17.6017
BOND        24
            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     6   7 1
            8     3   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  21 2
            23    4  22 1
            24   18  23 1 #Down

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