KEGG   DRUG: Tuvusertib
Entry
D12882                      Drug                                   
Name
Tuvusertib (USAN/INN)
Formula
C16H12F2N8O
Exact mass
370.1102
Mol weight
370.32
Structure
Efficacy
Antineoplastic, Serine/threonine kinase inhibitor
Target
ATR [HSA:545] [KO:K06640]
  Pathway
hsa04110  Cell cycle
hsa04115  p53 signaling pathway
hsa04218  Cellular senescence
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   Other
    ATR
     D12882  Tuvusertib (USAN/INN)
Other DBs
CAS: 1613200-51-3
PubChem: 497621295
LinkDB
KCF data

ATOM        27
            1   C8x C    11.8300   -9.5900
            2   C8y C    11.8300  -10.9900
            3   C8y C    13.0424  -11.6900
            4   C8y C    14.2549  -10.9900
            5   C8x C    14.2549   -9.5900
            6   N5x N    13.0424   -8.8900
            7   C8y C    13.0424  -13.0898
            8   N4y N    11.8952  -13.9235
            9   C8x C    12.3336  -15.2723
            10  N5x N    13.7518  -15.2721
            11  C8x C    14.1899  -13.9233
            12  X   F    10.6176  -11.6900
            13  C1a C    10.5699  -13.4931
            14  N1b N    15.4860  -11.7010
            15  C5a C    16.6912  -11.0053
            16  C8y C    17.8736  -11.6911
            17  O5a O    16.6916   -9.5904
            18  C8y C    17.8453  -13.0900
            19  N5x N    19.1671  -13.5491
            20  N4y N    20.0122  -12.4340
            21  C8y C    19.2128  -11.2856
            22  C8x C    21.4072  -12.3158
            23  C8y C    22.0023  -11.0485
            24  C8x C    21.2029   -9.9002
            25  N5x N    19.8079  -10.0184
            26  N1a N    16.6728  -13.9066
            27  X   F    23.3742  -10.9324
BOND        30
            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     3   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    7  11 2
            13    2  12 1
            14    8  13 1
            15    4  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 2
            19   16  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 1
            23   16  21 2
            24   20  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   21  25 1
            29   18  26 1
            30   23  27 1

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