KEGG   DRUG: Nedometinib
Entry
D13039                      Drug                                   
Name
Nedometinib (USAN/INN)
Formula
C17H16FIN4O3
Exact mass
470.0251
Mol weight
470.24
Structure
Class
Antineoplastic
 DG03137  MEK inhibitor
Efficacy
Antineoplastic, Mitogen-activated extracellular signal-regulated kinase (MEK) inhibitor
Comment
Treatment of cutaneous neurofibromas (cNF) in patients with neurofibromatosis type 1(NF1)
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
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG03137  MEK inhibitor
   D13039  Nedometinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   STE group
    MAP2K (MEK)
     D13039  Nedometinib (USAN/INN)
Other DBs
CAS: 2252314-46-6
PubChem: 505917312
LinkDB
KCF data

ATOM        26
            1   C8y C    21.3500  -18.3400
            2   C8y C    21.3500  -19.8100
            3   N1b N    20.2300  -17.6400
            4   C5a C    20.2300  -20.4400
            5   N1b N    19.0400  -19.8100
            6   O5a O    20.2300  -21.8400
            7   O2a O    17.8500  -20.3700
            8   C1b C    16.6600  -19.8100
            9   C1b C    15.4700  -20.3700
            10  O1a O    14.2800  -19.8100
            11  C8y C    20.2300  -16.2400
            12  C8x C    21.4200  -15.5400
            13  C8x C    21.4200  -14.1400
            14  C8y C    20.2300  -13.4400
            15  C8x C    19.0400  -14.1400
            16  C8y C    19.0400  -15.5400
            17  X   I    20.2300  -12.0400
            18  X   F    17.7800  -16.3100
            19  C8y C    22.6800  -20.2300
            20  C8y C    23.5200  -19.1100
            21  N4y N    22.6800  -17.9900
            22  N5x N    24.9200  -19.2500
            23  C8x C    25.4800  -20.5800
            24  C8x C    24.6400  -21.7000
            25  C8x C    23.2400  -21.4900
            26  C1a C    23.1700  -16.6600
BOND        28
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     4   5 1
            5     4   6 2
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    3  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   11  16 1
            17   14  17 1
            18   16  18 1
            19    2  19 1
            20   19  20 1
            21   20  21 1
            22    1  21 1
            23   20  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   19  25 2
            28   21  26 1

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