KEGG   DRUG: D10189Help
Entry
D10189                      Drug                                   

Name
Pictilisib (USAN);
Pictrelisib
Formula
C23H27N7O3S2
Exact mass
513.1617
Mol weight
513.6356
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Target
class I selective PI3K Inhibitor [HSA:5290 5291 5293 5294] [KO:K00922]
  Pathway
hsa00562  Inositol phosphate metabolism
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases
   class 1 selective PI3K
    Pictilisib
     D10189  Pictilisib (USAN)
BRITE hierarchy
Other DBs
CAS: 
957054-30-7
PubChem: 
PDB-CCD: 
LigandBox: 
KCF data Show

ATOM        35
            1   C8x C    10.1500  -25.2000
            2   C8x C    10.1500  -26.6000
            3   C8y C    11.3624  -27.3000
            4   C8y C    12.5749  -26.6000
            5   C8y C    12.5749  -25.2000
            6   C8x C    11.3624  -24.5000
            7   C8y C    13.8060  -24.4890
            8   N5x N    15.0112  -25.1847
            9   C8y C    16.2235  -24.4846
            10  C8y C    16.2235  -23.0846
            11  C8y C    15.0183  -22.3889
            12  N5x N    13.8059  -23.0890
            13  C8x C    17.5551  -24.9171
            14  C8y C    18.3779  -23.7845
            15  S2x S    17.5549  -22.6519
            16  N1y N    15.0185  -21.0004
            17  C1x C    16.2546  -20.2865
            18  C1x C    16.2544  -18.8865
            19  O2x O    15.0419  -18.1867
            20  C1x C    13.8058  -18.9005
            21  C1x C    13.8060  -20.3005
            22  C1b C    19.8099  -23.7840
            23  N1y N    20.5026  -22.5833
            24  C1x C    21.9097  -22.5828
            25  C1x C    22.6093  -21.3701
            26  N1y N    21.9088  -20.1579
            27  C1x C    20.5017  -20.1585
            28  C1x C    19.8022  -21.3712
            29  S4a S    22.6077  -18.9463
            30  C1a C    23.3077  -17.7338
            31  O3c O    23.8202  -19.6463
            32  O3c O    21.3953  -18.2463
            33  N4x N    11.6535  -28.6694
            34  N5x N    13.0459  -28.8158
            35  C8x C    13.6153  -27.5368
BOND        40
            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     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14    9  13 1
            15   13  14 2
            16   14  15 1
            17   10  15 1
            18   11  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   14  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   23  28 1
            33   26  29 1
            34   29  30 1
            35   29  31 2
            36   29  32 2
            37    3  33 1
            38   33  34 1
            39   34  35 2
            40    4  35 1

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