KEGG   DRUG: Niraparib tosilate hydrate
Entry
D11895                      Drug                                   
Name
Niraparib tosilate hydrate (JAN);
Niraparib tosylate monohydrate;
Zejula (TN)
Product
ZEJULA (GlaxoSmithKline LLC)
Formula
C19H20N4O. C7H8O3S. H2O
Exact mass
510.1937
Mol weight
510.6052
Structure
Class
Antineoplastic
 DG02942  PARP inhibitor
Remark
Therapeutic category: 4291
ATC code: L01XK02
Chemical structure group: DG03120
Product (DG03120): D11895<JP/US>
Efficacy
Antineoplastic, PARP inhibitor
  Disease
Ovarian cancer [DS:H00027]
Fallopian tube cancer [DS:H01554]
Primary peritoneal cancer [DS:H01665]
Target
PARP1 [HSA:142] [KO:K24070]
PARP2 [HSA:10038] [KO:K10798]
  Pathway
hsa04210  Apoptosis
hsa04217  Necroptosis
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XK Poly (ADP-ribose) polymerase (PARP) inhibitors
     L01XK02 Niraparib
      D11895  Niraparib tosilate hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Niraparib
    D11895  Niraparib tosilate hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D11895  Niraparib tosilate hydrate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG02942  PARP inhibitor
   DG03120  Niraparib
    D11895  Niraparib tosilate hydrate
Drug classes [BR:br08332]
 Antineoplastic
  DG02942  PARP inhibitor
   D11895  Niraparib tosilate hydrate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    PARP1
     D11895  Niraparib tosilate hydrate (JAN) <JP/US>
    PARP2
     D11895  Niraparib tosilate hydrate (JAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11895
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11895
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11895
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11895
Drug groups [BR:br08330]
 Antineoplastic
  DG02942  PARP inhibitor
   DG03120  Niraparib
Other DBs
CAS: 1613220-15-7
LinkDB
KCF data

ATOM        36
            1   C8x C    12.1564  -16.5579
            2   C8x C    12.1564  -17.9552
            3   C8x C    13.3441  -18.6539
            4   C8y C    14.6016  -17.9552
            5   C8y C    14.6016  -16.5579
            6   C8y C    13.3441  -15.8593
            7   C8x C    15.9290  -18.3744
            8   N4y N    16.7674  -17.2566
            9   N5x N    15.9290  -16.1388
            10  C5a C    13.3441  -14.4620
            11  O5a O    12.1564  -13.7634
            12  N1a N    14.6016  -13.7634
            13  C8y C    18.0948  -17.2566
            14  C8x C    18.7935  -18.5141
            15  C8x C    20.1907  -18.5141
            16  C8y C    20.8894  -17.2566
            17  C8x C    20.1907  -16.0689
            18  C8x C    18.7935  -16.0689
            19  C1y C    22.2867  -17.2566
            20  C1x C    22.9853  -18.5141
            21  N1x N    24.3826  -18.5141
            22  C1x C    25.0812  -17.2566
            23  C1x C    24.3826  -16.0689
            24  C1x C    22.9853  -16.0689
            25  C8x C    26.7400  -16.5900
            26  C8x C    26.7400  -17.9900
            27  C8y C    27.9524  -18.6900
            28  C8x C    29.1649  -17.9900
            29  C8x C    29.1649  -16.5900
            30  C8y C    27.9524  -15.8900
            31  C1a C    27.9524  -20.0898
            32  S4a S    27.9524  -14.4902
            33  O1d O    26.5524  -14.4902
            34  O1d O    29.3524  -14.4902
            35  O1d O    27.9524  -13.0902
            36  O0  O    31.7800  -17.2200
BOND        38
            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 2
            8     7   8 1
            9     8   9 1
            10    5   9 2
            11    6  10 1
            12   10  11 2
            13   10  12 1
            14    8  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   19  16 1 #Down
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   19  24 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1
            34   27  31 1
            35   30  32 1
            36   32  33 2
            37   32  34 2
            38   32  35 1

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