KEGG   DRUG: D10079Help
Entry
D10079                      Drug                                   

Name
Rucaparib (USAN)
Formula
C19H18FN3O
Exact mass
323.1434
Mol weight
323.3641
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of cancer
Target
poly [ADP-ribose] polymerase (PARP) inhibitor [HSA:142 10038 10039 143] [KO:K10798]
  Pathway
hsa03410  Base excision repair  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases
   poly ADP ribose polymerase (PARP)
    Rucaparib
     D10079  Rucaparib (USAN)
BRITE hierarchy
Other DBs
CAS: 
283173-50-2
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    16.3800  -18.2000
            2   C8x C    16.3800  -19.6000
            3   C8y C    17.5700  -20.3000
            4   C8y C    18.8300  -19.6000
            5   C8y C    18.8300  -18.2000
            6   C8x C    17.5700  -17.5000
            7   C8y C    20.1600  -20.0200
            8   C8y C    20.9300  -18.9000
            9   N4x N    20.1600  -17.7800
            10  C8y C    22.3300  -18.9000
            11  C8x C    23.0300  -20.0900
            12  C8x C    24.4300  -20.0900
            13  C8y C    25.1300  -18.9000
            14  C8x C    24.4300  -17.7100
            15  C8x C    23.0300  -17.7100
            16  C1b C    26.5300  -18.9000
            17  N1b N    27.2300  -20.0900
            18  C1a C    28.6300  -20.0900
            19  X   F    15.1900  -17.5000
            20  C1x C    20.7900  -21.2800
            21  C5x C    17.5700  -21.9100
            22  C1x C    20.1600  -22.5400
            23  N1x N    18.8300  -22.8200
            24  O5x O    16.3235  -22.5474
BOND        27
            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    5   9 1
            11    8  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   13  16 1
            19   16  17 1
            20   17  18 1
            21    1  19 1
            22    7  20 1
            23   20  22 1
            24   21  23 1
            25   22  23 1
            26   21   3 1
            27   21  24 2

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