KEGG   DRUG: Dactolisib tosylateHelp
Entry
D10616                      Drug                                   

Name
Dactolisib tosylate (USAN)
Formula
C30H23N5O. C7H8O3S
Exact mass
641.2097
Mol weight
641.7381
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG01826
Efficacy
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor
Target
PIK3C [HSA:5290 5291 5293] [KO:K00922]
MTOR [HSA:2475] [KO:K07203]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   Other
    MTOR
     D10616  Dactolisib tosylate (USAN)
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3C
     D10616  Dactolisib tosylate (USAN)
BRITE hierarchy
Other DBs
CAS: 1028385-32-1
PubChem: 254741577
ChEMBL: CHEMBL3039506
LinkDB All DBs
KCF data Show

ATOM        47
            1   C8y C    15.9600  -13.3000
            2   C8y C    15.9600  -11.8300
            3   C8x C    14.7700  -11.1300
            4   N5x N    13.5100  -11.8300
            5   C8y C    13.5100  -13.3000
            6   C8y C    14.7700  -14.0000
            7   C8x C    12.3200  -14.0000
            8   C8x C    12.3200  -15.3300
            9   C8y C    13.5100  -16.0300
            10  C8x C    14.7700  -15.3300
            11  C8y C    13.5100  -17.4300
            12  C8x C    12.3200  -18.1300
            13  C8y C    12.3200  -19.5300
            14  C8y C    13.5100  -20.2300
            15  N5x N    14.7700  -19.5300
            16  C8x C    14.7700  -18.1300
            17  C8x C    11.1300  -20.2300
            18  C8x C    11.1300  -21.6300
            19  C8x C    12.3200  -22.3300
            20  C8x C    13.5100  -21.6300
            21  N4y N    17.3600  -13.7200
            22  C8y C    18.1300  -12.5300
            23  N4y N    17.3600  -11.4100
            24  O5x O    19.5300  -12.5300
            25  C1a C    17.7100  -10.0800
            26  C8y C    17.9200  -14.9800
            27  C8x C    17.2200  -16.1700
            28  C8x C    17.9200  -17.4300
            29  C8y C    19.3200  -17.4300
            30  C8x C    20.0200  -16.2400
            31  C8x C    19.3200  -14.9800
            32  C1d C    19.9500  -18.6900
            33  C3b C    20.5100  -19.9500
            34  C1a C    18.7600  -19.3900
            35  C1a C    21.2100  -17.9900
            36  N3a N    21.0700  -21.2100
            37  C8y C    24.7286  -16.6731
            38  C8x C    23.5377  -17.3736
            39  C8x C    25.9897  -17.3736
            40  S4a S    24.7286  -15.2719
            41  C8x C    23.5377  -18.7748
            42  C8x C    25.9897  -18.7748
            43  O1d O    23.3275  -15.2719
            44  O1d O    26.1298  -15.2719
            45  O1d O    24.7286  -13.9408
            46  C8y C    24.7286  -19.4754
            47  C1a C    24.7286  -20.8765
BOND        52
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    6  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   13  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   14  20 1
            24    1  21 1
            25   21  22 1
            26   22  23 1
            27    2  23 1
            28   22  24 2
            29   23  25 1
            30   21  26 1
            31   26  27 2
            32   27  28 1
            33   28  29 2
            34   29  30 1
            35   30  31 2
            36   29  32 1
            37   32  33 1
            38   32  34 1
            39   32  35 1
            40   33  36 3
            41   26  31 1
            42   37  38 1
            43   37  39 2
            44   37  40 1
            45   38  41 2
            46   39  42 1
            47   40  43 2
            48   40  44 2
            49   40  45 1
            50   41  46 1
            51   42  46 2
            52   46  47 1

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