KEGG   DRUG: Miransertib mesylate
Entry
D11508                      Drug                                   

Name
Miransertib mesylate (USAN)
Formula
C27H24N6. (CH4SO3)2
Exact mass
624.1825
Mol weight
624.731
Structure
Simcomp
Remark
Chemical structure group: DG03026
Efficacy
Antineoplastic, AKT serine/threonine kinase inhibitor
Comment
Treatment of cancer and overgrowth diseases
Target
AKT (PKB) [HSA:207 208 10000] [KO:K04456]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    AKT (PKB)
     D11508  Miransertib mesylate (USAN)
Other DBs
CAS: 1817727-88-0
PubChem: 384585484
ChEMBL: CHEMBL4298151
LinkDB
KCF data

ATOM        43
            1   C8y C    10.3782  -11.9121
            2   C8y C    10.3782  -13.3135
            3   N5x N     9.1871  -14.0142
            4   C8y C     7.9258  -13.3135
            5   C8x C     7.9258  -11.9121
            6   C8x C     9.1871  -11.2114
            7   N4y N    11.7095  -13.7339
            8   C8y C    12.5504  -12.6128
            9   N5x N    11.7095  -11.4917
            10  C8y C    13.9518  -12.6128
            11  C8y C    14.6524  -13.8039
            12  N5x N    16.0538  -13.8039
            13  C8x C    16.7545  -12.6128
            14  C8x C    16.0538  -11.4216
            15  C8x C    14.6524  -11.4216
            16  C8y C    12.1300  -15.0652
            17  C8x C    11.1490  -16.0462
            18  C8x C    11.4293  -17.3775
            19  C8y C    12.7606  -17.7979
            20  C8x C    13.8116  -16.8169
            21  C8x C    13.5313  -15.4856
            22  C1z C    13.1810  -19.1292
            23  C8y C     6.7346  -14.0142
            24  C8x C     5.4734  -13.3135
            25  C8x C     4.2822  -14.0142
            26  C8x C     4.2822  -15.4155
            27  C8x C     5.5435  -16.1162
            28  C8x C     6.7346  -15.4155
            29  N1a N    13.9518  -14.9951
            30  C1x C    13.1810  -20.5306
            31  C1x C    14.5824  -20.5306
            32  C1x C    14.5824  -19.1292
            33  N1a N    11.7796  -19.1292
            34  S4a S    20.9300  -17.3600
            35  O1d O    20.9300  -15.9600
            36  O1d O    20.9300  -18.7600
            37  C1a C    19.5300  -17.3600
            38  O1d O    22.3300  -17.3600
            39  S4a S    20.9300  -17.3600
            40  O1d O    20.9300  -15.9600
            41  O1d O    20.9300  -18.7600
            42  C1a C    19.5300  -17.3600
            43  O1d O    22.3300  -17.3600
BOND        46
            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 2
            10    1   9 1
            11    8  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    7  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   16  21 1
            25   19  22 1
            26    4  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   23  28 1
            33   11  29 1
            34   22  30 1
            35   30  31 1
            36   31  32 1
            37   22  32 1
            38   22  33 1
            39   34  35 2
            40   34  36 2
            41   34  37 1
            42   34  38 1
            43   39  40 2
            44   39  41 2
            45   39  42 1
            46   39  43 1
BRACKET     1    17.4300  -19.6000   17.4300  -14.9100
            1    23.8000  -14.9100   23.8000  -19.6000
            1  2
 ORIGINAL  1   34  35  36  37  38
 REPEAT    1   39  40  41  42  43

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