KEGG   DRUG: Risovalisib
Entry
D12836                      Drug                                   
Name
Risovalisib (INN)
Formula
C24H29F3N8O5S
Exact mass
598.1934
Mol weight
598.60
Structure
Class
Antineoplastic
 DG03139  PI3K inhibitor
Metabolizing enzyme inducer
 DG02891  CYP2B6 inducer
 DG01640  CYP2C8 inducer
 DG02886  CYP2C9 inducer
 DG02885  CYP2C19 inducer
 DG02853  CYP3A/CYP3A4 inducer
Remark
Chemical structure group: DG03302
Product (DG03302): D12837<JP>
Efficacy
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor
Target
PIK3CA [HSA:5290] [KO:K00922]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Interaction
CYP induction: CYP2B6 [HSA:1555], CYP2C8 [HSA:1558], CYP2C9 [HSA:1559], CYP2C19 [HSA:1557], CYP3A [HSA:1576 1577 1551]
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG03139  PI3K inhibitor
   DG03302  Risovalisib
    D12836  Risovalisib
 Metabolizing enzyme inducer
  DG02891  CYP2B6 inducer
   DG03302  Risovalisib
    D12836  Risovalisib
  DG01640  CYP2C8 inducer
   DG03302  Risovalisib
    D12836  Risovalisib
  DG02886  CYP2C9 inducer
   DG03302  Risovalisib
    D12836  Risovalisib
  DG02885  CYP2C19 inducer
   DG03302  Risovalisib
    D12836  Risovalisib
  DG02853  CYP3A/CYP3A4 inducer
   DG03302  Risovalisib
    D12836  Risovalisib
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3CA
     D12836  Risovalisib (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12836
Drug groups [BR:br08330]
 Antineoplastic
  DG03139  PI3K inhibitor
   DG03302  Risovalisib
 Metabolizing enzyme inducer
  DG02891  CYP2B6 inducer
   DG03302  Risovalisib
  DG01640  CYP2C8 inducer
   DG03302  Risovalisib
  DG02886  CYP2C9 inducer
   DG03302  Risovalisib
  DG02885  CYP2C19 inducer
   DG03302  Risovalisib
  DG02853  CYP3A/CYP3A4 inducer
   DG03302  Risovalisib
Other DBs
CAS: 1494684-28-4
PubChem: 497621249
LinkDB
KCF data

ATOM        41
            1   N5x N    14.4900  -22.0500
            2   C8y C    14.4900  -23.4500
            3   N5x N    15.7024  -24.1500
            4   N4y N    16.9149  -23.4500
            5   C8y C    16.9149  -22.0500
            6   C8y C    15.7024  -21.3500
            7   C8x C    18.2464  -23.8826
            8   C8y C    19.0693  -22.7500
            9   C8x C    18.2464  -21.6174
            10  N1y N    15.7024  -19.9502
            11  C8y C    13.2776  -24.1500
            12  C1b C    20.4400  -22.7500
            13  N1y N    21.1400  -21.5376
            14  C1x C    22.5398  -21.5376
            15  C1x C    23.2398  -20.3251
            16  N1y N    22.5398  -19.1127
            17  C1x C    21.1400  -19.1127
            18  C1x C    20.4400  -20.3251
            19  S4a S    23.2410  -17.8982
            20  C1a C    23.9410  -16.6857
            21  O3c O    24.4535  -18.5982
            22  O3c O    22.0286  -17.1982
            23  C1x C    16.8980  -19.2597
            24  C1x C    16.8978  -17.8597
            25  O2x O    15.6853  -17.1599
            26  C1x C    14.4898  -17.8503
            27  C1x C    14.4899  -19.2503
            28  C8x C    12.0821  -23.4596
            29  N5x N    10.8696  -24.1595
            30  C8y C    10.8694  -25.5595
            31  C8x C    12.0649  -26.2499
            32  C8y C    13.2774  -25.5500
            33  C1d C    14.5066  -26.2600
            34  X   F    15.7190  -26.9600
            35  X   F    15.2066  -25.0476
            36  X   F    13.8066  -27.4725
            37  N1b N     9.6466  -26.2654
            38  C7a C     8.4377  -25.5674
            39  O7a O     7.2570  -26.2490
            40  O6a O     8.4373  -24.1504
            41  C1a C     6.0624  -25.5591
BOND        45
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    6  10 1
            12    2  11 1
            13    8  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21   16  19 1
            22   19  20 1
            23   19  21 2
            24   19  22 2
            25   10  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   10  27 1
            31   11  28 2
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   11  32 1
            37   32  33 1
            38   33  34 1
            39   33  35 1
            40   33  36 1
            41   30  37 1
            42   37  38 1
            43   38  39 1
            44   38  40 2
            45   39  41 1

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