KEGG   DRUG: Rucaparib phosphate
Entry
D10157                      Drug                                   
Name
Rucaparib phosphate (USAN)
Formula
C19H18FN3O. H3PO4
Exact mass
421.1203
Mol weight
421.36
Structure
Simcomp
Class
Antineoplastic
 DG02942  PARP inhibitor
Remark
ATC code: L01XK03
Chemical structure group: DG01864
Product (DG01864): D10982<US>
Efficacy
Antineoplastic, PARP inhibitor
Target
PARP1 [HSA:142] [KO:K24070]
PARP2 [HSA:10038] [KO:K28005]
PARP3 [HSA:10039] [KO:K10798]
  Pathway
hsa03410  Base excision repair
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
     L01XK03 Rucaparib
      D10157  Rucaparib phosphate (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG02942  PARP inhibitor
   DG01864  Rucaparib
    D10157  Rucaparib phosphate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    PARP1
     D10157  Rucaparib phosphate (USAN)
    PARP2
     D10157  Rucaparib phosphate (USAN)
    PARP3
     D10157  Rucaparib phosphate (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG02942  PARP inhibitor
   DG01864  Rucaparib
Other DBs
CAS: 459868-92-9
PubChem: 135626875
LigandBox: D10157
LinkDB
KCF data

ATOM        29
            1   C8y C    14.4900  -20.9300
            2   C8x C    14.4900  -22.3300
            3   C8y C    15.6800  -23.0300
            4   C8y C    16.9400  -22.3300
            5   C8y C    16.9400  -20.9300
            6   C8x C    15.6800  -20.2300
            7   C8y C    18.2700  -22.7500
            8   C8y C    19.0400  -21.6300
            9   N4x N    18.2700  -20.5100
            10  C8y C    20.4400  -21.6300
            11  C8x C    21.0700  -22.8200
            12  C8x C    22.4700  -22.8200
            13  C8y C    23.1700  -21.6300
            14  C8x C    22.4700  -20.4400
            15  C8x C    21.0700  -20.4400
            16  C1b C    24.5700  -21.6300
            17  N1b N    25.2700  -22.8200
            18  C1a C    26.6700  -22.8200
            19  X   F    13.3000  -20.2300
            20  C1x C    18.9000  -24.0100
            21  C5x C    15.6800  -24.6400
            22  C1x C    18.2700  -25.2700
            23  N1x N    16.9400  -25.4800
            24  O5x O    14.4200  -25.2700
            25  P1b P    31.4300  -22.8900
            26  O1c O    31.4300  -21.4900
            27  O1c O    31.4300  -24.2900
            28  O1c O    32.8300  -22.8900
            29  O1c O    30.0300  -22.8900
BOND        31
            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
            28   25  26 2
            29   25  27 1
            30   25  28 1
            31   25  29 1

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