KEGG   DRUG: Ceralasertib
Entry
D11787                      Drug                                   
Name
Ceralasertib (USAN/INN)
Formula
C20H24N6O2S
Exact mass
412.1681
Mol weight
412.5086
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
     D11787  Ceralasertib (USAN/INN)
Other DBs
CAS: 1352226-88-0
PubChem: 405226653
LinkDB
KCF data

ATOM        29
            1   C8x C    10.1500  -15.6100
            2   C8x C    10.1500  -17.0100
            3   N5x N    11.3400  -17.7100
            4   C8y C    12.6000  -17.0100
            5   C8y C    12.6000  -15.6100
            6   C8y C    11.3400  -14.9100
            7   N4x N    13.9300  -17.4300
            8   C8x C    14.7000  -16.3100
            9   C8x C    13.9300  -15.1900
            10  C8y C    11.3400  -13.5100
            11  N5x N    12.5300  -12.8100
            12  C8y C    12.5300  -11.4100
            13  C8x C    11.3400  -10.7100
            14  C8y C    10.1500  -11.4100
            15  N5x N    10.1500  -12.8100
            16  N1y N     8.9600  -10.7100
            17  C1x C     8.9600   -9.3100
            18  C1x C     7.7000   -8.6100
            19  O2x O     6.5100   -9.3100
            20  C1x C     6.5100  -10.7100
            21  C1y C     7.7000  -11.4100
            22  C1a C     7.7000  -12.8100
            23  C1z C    13.7200  -10.7100
            24  S4a S    14.9100  -11.4100
            25  C1x C    13.0200   -9.5200
            26  C1x C    14.4200   -9.5200
            27  O3c O    16.1281  -10.7199
            28  C1a C    13.9201  -12.3999
            29  N2a N    15.8999  -12.3999
BOND        33
            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     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    6  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   14  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   16  21 1
            25   21  22 1 #Down
            26   12  23 1
            27   24  23 1 #Up
            28   25  26 1
            29   26  23 1
            30   23  25 1
            31   24  27 2
            32   24  28 1
            33   24  29 2

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