KEGG   DRUG: Miransertib
Entry
D11409                      Drug                                   

Name
Miransertib (USAN/INN)
Formula
C27H24N6
Exact mass
432.2062
Mol weight
432.5197
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)
     D11409  Miransertib (USAN/INN)
Other DBs
CAS: 1313881-70-7
PubChem: 384585387
ChEMBL: CHEMBL4297188
PDB-CCD: 6S1[PDBj]
LinkDB
KCF data

ATOM        33
            1   C8y C    14.4200  -15.6100
            2   C8y C    14.4200  -17.0100
            3   N5x N    13.2300  -17.7100
            4   C8y C    11.9700  -17.0100
            5   C8x C    11.9700  -15.6100
            6   C8x C    13.2300  -14.9100
            7   N4y N    15.7500  -17.4300
            8   C8y C    16.5900  -16.3100
            9   N5x N    15.7500  -15.1900
            10  C8y C    17.9900  -16.3100
            11  C8y C    18.6900  -17.5000
            12  N5x N    20.0900  -17.5000
            13  C8x C    20.7900  -16.3100
            14  C8x C    20.0900  -15.1200
            15  C8x C    18.6900  -15.1200
            16  C8y C    16.1700  -18.7600
            17  C8x C    15.1900  -19.7400
            18  C8x C    15.4700  -21.0700
            19  C8y C    16.8000  -21.4900
            20  C8x C    17.8500  -20.5100
            21  C8x C    17.5700  -19.1800
            22  C1z C    17.2200  -22.8200
            23  C8y C    10.7800  -17.7100
            24  C8x C     9.5200  -17.0100
            25  C8x C     8.3300  -17.7100
            26  C8x C     8.3300  -19.1100
            27  C8x C     9.5900  -19.8100
            28  C8x C    10.7800  -19.1100
            29  N1a N    17.9900  -18.6900
            30  C1x C    17.2200  -24.2200
            31  C1x C    18.6200  -24.2200
            32  C1x C    18.6200  -22.8200
            33  N1a N    15.8200  -22.8200
BOND        38
            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

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