KEGG   DRUG: Saruparib
Entry
D12981                      Drug                                   
Name
Saruparib (USAN/INN)
Formula
C22H26N6O2
Exact mass
406.2117
Mol weight
406.48
Structure
Class
Antineoplastic
 DG02942  PARP inhibitor
Efficacy
Antineoplastic, PARP1 inhibitor
Comment
Treatment of advanced solid tumors
Target
PARP1 [HSA:142] [KO:K24070]
  Pathway
hsa03410  Base excision repair
hsa04064  NF-kappa B signaling pathway
hsa04210  Apoptosis
hsa04217  Necroptosis
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG02942  PARP inhibitor
   D12981  Saruparib
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    PARP1
     D12981  Saruparib (USAN/INN)
Other DBs
CAS: 2589531-76-8
PubChem: 504099497
LinkDB
KCF data

ATOM        30
            1   C8y C    14.7700  -15.8900
            2   C8y C    14.7700  -14.4900
            3   C8x C    15.9600  -13.7900
            4   C8y C    17.2200  -14.4900
            5   C8x C    17.2200  -15.8900
            6   N5x N    15.9600  -16.5900
            7   C8x C    13.5800  -16.5900
            8   C8y C    12.3200  -15.8900
            9   C8y C    12.3200  -14.4900
            10  N4x N    13.5800  -13.7900
            11  C1b C    11.1300  -16.5900
            12  C1a C     9.9400  -15.8900
            13  O5x O    11.1300  -13.7900
            14  C1b C    18.4100  -13.7900
            15  N1y N    19.6000  -14.4900
            16  C1x C    20.7900  -13.7900
            17  C1x C    22.0500  -14.4900
            18  N1y N    22.0500  -15.8900
            19  C1x C    20.8600  -16.5900
            20  C1x C    19.6000  -15.8900
            21  C8y C    23.2400  -16.5900
            22  C8x C    24.4300  -15.8900
            23  C8x C    25.6900  -16.5900
            24  C8y C    25.6900  -17.9900
            25  N5x N    24.5000  -18.6900
            26  C8x C    23.2400  -17.9900
            27  C5a C    26.8800  -18.6900
            28  N1b N    28.0700  -17.9900
            29  O5a O    26.8800  -20.0900
            30  C1a C    29.2600  -18.6900
BOND        33
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    8  11 1
            13   11  12 1
            14    9  13 2
            15    4  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  20 1
            23   18  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   24  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 1

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