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KEGG   DRUG: Omipalisib
Entry
D10718                      Drug                                   
Name
Omipalisib (USAN/INN)
Formula
C25H17F2N5O3S
Exact mass
505.1020
Mol weight
505.50
Structure
Class
Antineoplastic
 DG03139  PI3K inhibitor
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
   D10718  Omipalisib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   Other
    MTOR
     D10718  Omipalisib (USAN/INN)
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3C
     D10718  Omipalisib (USAN/INN)
Other DBs
CAS: 1086062-66-9
PubChem: 254741679
ChEBI: 95093
PDB-CCD: ZIG[PDBj]
KCF data

ATOM        36
            1   C8x C    18.6026  -13.3570
            2   C8x C    18.6026  -14.7555
            3   C8y C    19.8137  -15.4548
            4   C8x C    21.0250  -14.7555
            5   C8y C    21.0250  -13.3570
            6   C8y C    19.8137  -12.6577
            7   C8y C    22.2361  -12.6577
            8   C8x C    22.2361  -11.2592
            9   C8x C    21.0250  -10.5599
            10  N5x N    19.8137  -11.2592
            11  C8y C    23.4472  -13.3570
            12  C8y C    19.8137  -16.8533
            13  C8x C    23.4472  -14.7554
            14  N5x N    24.6585  -15.4547
            15  N5x N    25.8696  -14.7554
            16  C8x C    25.8696  -13.3570
            17  C8x C    24.6585  -12.6577
            18  C8x C    18.5859  -17.5624
            19  C8y C    18.5860  -18.9609
            20  C8y C    19.7973  -19.6601
            21  N5x N    21.0252  -18.9510
            22  C8x C    21.0250  -17.5525
            23  O2a O    19.7973  -21.0586
            24  C1a C    18.5861  -21.7579
            25  S4a S    16.1637  -18.9612
            26  N1b N    17.3750  -19.6604
            27  C8y C    14.9525  -18.2620
            28  O3c O    16.8630  -17.7501
            29  O3c O    15.4645  -20.1724
            30  C8x C    14.9524  -16.8534
            31  C8x C    13.7413  -16.1543
            32  C8y C    12.5301  -16.8535
            33  C8x C    12.5302  -18.2622
            34  C8y C    13.7415  -18.9613
            35  X   F    11.3190  -16.1543
            36  X   F    13.7415  -20.3599
BOND        40
            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    7  11 1
            13    3  12 1
            14   11  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   11  17 2
            20   12  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   12  22 2
            26   20  23 1
            27   23  24 1
            28   25  26 1
            29   19  26 1
            30   25  27 1
            31   25  28 2
            32   25  29 2
            33   27  30 2
            34   30  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   27  34 1
            39   32  35 1
            40   34  36 1

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Ontology (2)   
   KEGG BRITE (2)   
Drug (1)   
   KEGG DGROUP (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (6)   
   KEGG ORTHOLOGY (2)   
   KEGG GENES (4)   
All databases (12)   

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