KEGG   DRUG: Talazoparib tosylateHelp
Entry
D10733                      Drug                                   

Name
Talazoparib tosylate (USAN);
Talzenna (TN)
Product
Formula
C19H14F2N6O. C7H8O3S
Exact mass
552.1391
Mol weight
552.5525
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG02942  PARP inhibitor
Remark
ATC code: L01XX60
Chemical structure group: DG01865
Product (DG01865): D10733<US>
Efficacy
Antineoplastic, PARP inhibitor
  Disease
Breast cancer (BRCA-mutated, HER2-negative) [DS:H00031]
Comment
Treatment of solid tumors and hematological malignancies
Target
PARP1 [HSA:142] [KO:K10798]
PARP2 [HSA:10038] [KO:K10798]
  Pathway
hsa03410  Base excision repair
hsa04210  Apoptosis
hsa04217  Necroptosis
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX60 Talazoparib
      D10733  Talazoparib tosylate (USAN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Talazoparib
    D10733  Talazoparib tosylate (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    PARP1
     D10733  Talazoparib tosylate (USAN) <US>
    PARP2
     D10733  Talazoparib tosylate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10733
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10733
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10733
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10733
BRITE hierarchy
Other DBs
CAS: 1373431-65-2
PubChem: 254741694
ChEMBL: CHEMBL3137318
KCF data Show

ATOM        39
            1   C8y C    17.5000  -14.9800
            2   C8x C    18.2000  -16.1000
            3   C8y C    19.6000  -16.1700
            4   C8y C    20.3000  -14.9800
            5   C8y C    19.6000  -13.7200
            6   C8x C    18.2000  -13.7200
            7   C8y C    21.7000  -14.9100
            8   N5x N    22.4000  -13.7200
            9   N4x N    21.7000  -12.5300
            10  C8y C    20.3000  -12.5300
            11  C1y C    21.7000  -17.3600
            12  C1y C    22.4000  -16.1700
            13  X   F    16.1000  -14.9800
            14  C8y C    22.4000  -18.5500
            15  C8x C    21.7000  -19.8100
            16  C8x C    22.4000  -21.0000
            17  C8y C    23.8000  -21.0000
            18  C8x C    24.5000  -19.8100
            19  C8x C    23.8000  -18.5500
            20  X   F    24.5700  -22.1900
            21  C8y C    23.8000  -16.1700
            22  N5x N    24.6400  -17.2900
            23  C8x C    25.9700  -16.8000
            24  N5x N    25.9700  -15.4000
            25  N4y N    24.6400  -14.9800
            26  O5x O    19.5300  -11.2700
            27  C1a C    24.2200  -13.6500
            28  N1x N    20.3000  -17.3600
            29  C8y C    28.7700  -14.9800
            30  C8x C    27.5100  -15.6800
            31  C8x C    29.9600  -15.6800
            32  S4a S    28.7700  -13.5800
            33  C8x C    27.5100  -17.0800
            34  C8x C    29.9600  -17.0800
            35  O1d O    27.3700  -13.5800
            36  O1d O    30.1700  -13.5800
            37  O1d O    28.7700  -12.2500
            38  C8y C    28.7700  -17.7800
            39  C1a C    28.7700  -19.1800
BOND        43
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12   11  12 1
            13   12   7 1
            14    1  13 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   17  20 1
            22   11  14 1 #Up
            23   12  21 1 #Down
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   21  25 1
            29   10  26 2
            30   25  27 1
            31    3  28 1
            32   28  11 1
            33   29  30 1
            34   29  31 2
            35   29  32 1
            36   30  33 2
            37   31  34 1
            38   32  35 2
            39   32  36 2
            40   32  37 1
            41   33  38 1
            42   38  39 1
            43   34  38 2

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