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KEGG   DRUG: Dactolisib
Entry
D10552                      Drug                                   
Name
Dactolisib (USAN/INN)
Formula
C30H23N5O
Exact mass
469.1903
Mol weight
469.54
Structure
Class
Antineoplastic
 DG03139  PI3K inhibitor
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
Drug groups [BR:br08330]
 Antineoplastic
  DG03139  PI3K inhibitor
   DG01826  Dactolisib
    D10552  Dactolisib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   Other
    MTOR
     D10552  Dactolisib (USAN/INN)
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3C
     D10552  Dactolisib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03139  PI3K inhibitor
   DG01826  Dactolisib
Other DBs
CAS: 915019-65-7
PubChem: 254741514
KCF data

ATOM        36
            1   C8y C    15.9600  -10.7800
            2   C8y C    15.9600   -9.3800
            3   C8x C    14.7700   -8.6800
            4   N5x N    13.5100   -9.3800
            5   C8y C    13.5100  -10.7800
            6   C8y C    14.7700  -11.4800
            7   C8x C    12.3200  -11.4800
            8   C8x C    12.3200  -12.8800
            9   C8y C    13.5100  -13.5800
            10  C8x C    14.7700  -12.8800
            11  C8y C    13.5100  -14.9800
            12  C8x C    12.3200  -15.6800
            13  C8y C    12.3200  -17.0800
            14  C8y C    13.5100  -17.7800
            15  N5x N    14.7700  -17.0800
            16  C8x C    14.7700  -15.6800
            17  C8x C    11.0600  -17.7800
            18  C8x C    11.0600  -19.1800
            19  C8x C    12.3200  -19.8800
            20  C8x C    13.5100  -19.1800
            21  N4y N    17.2900  -11.2000
            22  C8y C    18.1300  -10.0800
            23  N4y N    17.2900   -8.9600
            24  O5x O    19.5300  -10.0800
            25  C1a C    17.7100   -7.6300
            26  C8y C    17.7100  -12.5300
            27  C8x C    17.0100  -13.7200
            28  C8x C    17.7100  -14.9800
            29  C8y C    19.1100  -14.9800
            30  C8x C    19.8100  -13.7900
            31  C8x C    19.1100  -12.5300
            32  C1d C    19.7400  -16.2400
            33  C3b C    20.4400  -17.4300
            34  C1a C    18.5500  -16.9400
            35  C1a C    21.0000  -15.5400
            36  N3a N    21.1400  -18.6200
BOND        41
            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   26  31 1
            37   29  32 1
            38   32  33 1
            39   32  34 1
            40   32  35 1
            41   33  36 3

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