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KEGG   DRUG: Leniolisib phosphate
Entry
D11159                      Drug                                   
Name
Leniolisib phosphate (JAN/USAN);
Joenja (TN)
Product
JOENJA (Pharming Healthcare)
Formula
C21H25F3N6O2. H3PO4
Exact mass
548.1760
Mol weight
548.45
Structure
Simcomp
Class
Antineoplastic
 DG03139  PI3K inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: L03AX22
Chemical structure group: DG02927
Product (DG02927): D11159<US>
Efficacy
Immunomodulator, Phosphatidylinositol 3-kinase inhibitor
  Disease
Activated phosphoinositide 3-kinase delta syndrome [DS:H01387]
Target
PIK3CD [HSA:5293] [KO:K00922]
  Pathway
hsa00562  Inositol phosphate metabolism
hsa04151  PI3K-Akt signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L03 IMMUNOSTIMULANTS
   L03A IMMUNOSTIMULANTS
    L03AX Other immunostimulants
     L03AX22 Leniolisib
      D11159  Leniolisib phosphate (JAN/USAN) <US>
USP drug classification [BR:br08302]
 Genetic, Enzyme, or Protein Disorder: Replacement, Modifiers, Treatment
  Leniolisib
   D11159  Leniolisib phosphate (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03139  PI3K inhibitor
   DG02927  Leniolisib
    D11159  Leniolisib phosphate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG02927  Leniolisib
     D11159  Leniolisib phosphate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PIK3CD
     D11159  Leniolisib phosphate (JAN/USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11159
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11159
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11159
Drug groups [BR:br08330]
 Antineoplastic
  DG03139  PI3K inhibitor
   DG02927  Leniolisib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG02927  Leniolisib
Other DBs
CAS: 1354691-97-6
PubChem: 376219083
ChEBI: 229650
LinkDB
KCF data

ATOM        37
            1   C8y C    15.6199  -13.7287
            2   C8y C    15.6199  -12.3278
            3   N5x N    14.4291  -11.6273
            4   C8x C    13.1683  -12.3278
            5   N5x N    13.1683  -13.7287
            6   C8y C    14.4291  -14.4291
            7   C1x C    16.8106  -14.4291
            8   N1y N    18.0714  -13.7287
            9   C1x C    18.0714  -12.3278
            10  C1x C    16.8106  -11.6273
            11  C8y C    19.2622  -14.4291
            12  C8x C    19.2622  -15.8300
            13  N5x N    20.5230  -16.5304
            14  C8y C    21.7137  -15.8300
            15  C8y C    21.7137  -14.4291
            16  C8x C    20.5230  -13.7287
            17  O2a O    22.9045  -16.5304
            18  C1a C    24.0952  -15.8300
            19  C1d C    22.9045  -13.7287
            20  X   F    24.1653  -13.0282
            21  X   F    23.6049  -14.9194
            22  X   F    22.2040  -12.5379
            23  N1b N    14.4291  -15.8300
            24  C1y C    15.6199  -16.5304
            25  C1x C    15.1996  -17.8613
            26  N1y N    16.3203  -18.7018
            27  C1x C    17.4410  -17.8613
            28  C1x C    17.0208  -16.5304
            29  C5a C    16.3203  -20.1027
            30  C1b C    17.5111  -20.8031
            31  O5a O    15.1296  -20.8031
            32  C1a C    18.7018  -20.1027
            33  P1b P    24.6400  -20.0200
            34  O1c O    24.6400  -18.6200
            35  O1c O    23.2400  -20.0200
            36  O1c O    26.0400  -20.0200
            37  O1c O    24.6400  -21.4200
BOND        39
            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     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   11  16 2
            19   14  17 1
            20   17  18 1
            21   15  19 1
            22   19  20 1
            23   19  21 1
            24   19  22 1
            25    6  23 1
            26   24  23 1 #Up
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   24  28 1
            32   26  29 1
            33   29  30 1
            34   29  31 2
            35   30  32 1
            36   33  34 2
            37   33  35 1
            38   33  36 1
            39   33  37 1

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