KEGG   DRUG: Berzosertib
Entry
D11148                      Drug                                   
Name
Berzosertib (USAN/INN)
Formula
C24H25N5O3S
Exact mass
463.1678
Mol weight
463.552
Structure
Efficacy
Antineoplastic, Serine/threonine kinase inhibitor
Comment
Treatment of solid tumors
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
     D11148  Berzosertib (USAN/INN)
Other DBs
CAS: 1232416-25-9
PubChem: 376219072
LinkDB
KCF data

ATOM        33
            1   C8x C    16.8700  -17.5000
            2   C8y C    16.8700  -18.9000
            3   C8x C    18.0600  -19.6000
            4   C8x C    19.3200  -18.9000
            5   C8y C    19.3200  -17.5000
            6   C8x C    18.0600  -16.8000
            7   S4a S    15.6800  -19.6000
            8   C1c C    14.4900  -18.9000
            9   C1a C    13.3000  -19.6000
            10  C1a C    14.4900  -17.5000
            11  O3c O    14.7000  -20.5800
            12  O3c O    16.6600  -20.5800
            13  C8y C    20.5100  -16.8000
            14  N5x N    21.7000  -17.5000
            15  C8y C    22.9600  -16.8000
            16  C8y C    22.9600  -15.4000
            17  N5x N    21.7700  -14.7000
            18  C8x C    20.5100  -15.4000
            19  N1a N    24.1500  -14.7000
            20  C8y C    24.1500  -17.5000
            21  C8x C    24.6400  -18.8300
            22  C8y C    26.0400  -18.8300
            23  N5x N    26.4600  -17.5000
            24  O2x O    25.2700  -16.6600
            25  C8y C    27.2300  -19.5300
            26  C8x C    27.2300  -20.9300
            27  C8x C    28.4200  -21.6300
            28  C8y C    29.6800  -20.9300
            29  C8x C    29.6800  -19.5300
            30  C8x C    28.4200  -18.8300
            31  C1b C    30.8700  -21.6300
            32  N1b N    32.1300  -20.9300
            33  C1a C    33.3200  -21.7000
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     2   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 1
            11    7  11 2
            12    7  12 2
            13    5  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   16  19 1
            21   15  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   20  24 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   25  30 1
            33   25  22 1
            34   28  31 1
            35   31  32 1
            36   32  33 1

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