KEGG   DRUG: Avutometinib
Entry
D12515                      Drug                                   
Name
Avutometinib (USAN/INN)
Formula
C21H18FN5O5S
Exact mass
471.1013
Mol weight
471.4615
Structure
Class
Antineoplastic
 DG03137  MEK inhibitor
Remark
Chemical structure group: DG03255
Efficacy
Antineoplastic, Tyrosine kinase inhibitoer
Target
MAP2K1 (MEK1) [HSA:5604] [KO:K04368]
MAP2K2 (MEK2) [HSA:5605] [KO:K04369]
RAF1 [HSA:5894] [KO:K04366]
  Pathway
hsa04014  Ras signaling pathway
hsa05200  Pathways in cancer
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG03137  MEK inhibitor
   DG03255  Avutometinib
    D12515  Avutometinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   STE group
    MAP2K1 (MEK1)
     D12515  Avutometinib (USAN/INN)
    MAP2K2 (MEK2)
     D12515  Avutometinib (USAN/INN)
   TKL group
    RAF1
     D12515  Avutometinib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03137  MEK inhibitor
   DG03255  Avutometinib
Other DBs
CAS: 946128-88-7
PDB-CCD: CHU[PDBj]
LinkDB
KCF data

ATOM        33
            1   C8x C     6.7900  -11.6900
            2   C8x C     6.7900  -13.0900
            3   C8x C     8.0024  -13.7900
            4   N5x N     9.2149  -13.0900
            5   C8y C     9.2149  -11.6900
            6   N5x N     8.0024  -10.9900
            7   O2a O    10.4460  -10.9790
            8   C8y C    11.6512  -11.6747
            9   C8x C    11.6516  -13.0896
            10  C8x C    12.8642  -13.7893
            11  C8y C    14.0765  -13.0889
            12  C8y C    14.0760  -11.6739
            13  C8x C    12.8634  -10.9743
            14  C8y C    15.2891  -13.7885
            15  C8y C    16.5013  -13.0882
            16  C8y C    16.5009  -11.6732
            17  O7x O    15.2883  -10.9736
            18  C1b C    17.7287  -13.7964
            19  C8y C    18.9296  -13.1026
            20  O6a O    17.7199  -10.9688
            21  C1a C    15.2895  -15.1897
            22  C8y C    20.1146  -13.7863
            23  C8y C    21.3268  -13.0859
            24  N5x N    21.3264  -11.6859
            25  C8x C    20.1415  -11.0022
            26  C8x C    18.9292  -11.7026
            27  N1b N    22.5585  -13.7968
            28  S4a S    23.7597  -13.1028
            29  N1b N    24.9445  -13.7865
            30  C1a C    26.1368  -13.0976
            31  X   F    20.1150  -15.1898
            32  O3c O    23.0597  -11.8904
            33  O3c O    24.4597  -11.8904
BOND        36
            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     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   11  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   15  18 1
            21   18  19 1
            22   16  20 2
            23   14  21 1
            24   19  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   19  26 1
            30   23  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   22  31 1
            35   28  32 2
            36   28  33 2

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