Entry |
|
Name |
Rucaparib (USAN/INN) |
Formula |
C19H18FN3O
|
Exact mass |
323.1434
|
Mol weight |
323.36
|
Structure |
|
Simcomp |
|
Class |
Antineoplastic
DG02942 PARP inhibitor
|
Remark |
Product (DG01864): | D10982<US> |
|
Efficacy |
Antineoplastic, PARP inhibitor |
Target |
|
Pathway |
|
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
D10079 Rucaparib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG02942 PARP inhibitor
DG01864 Rucaparib
D10079 Rucaparib
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Pentosyltransferases
PARP1
D10079 Rucaparib (USAN/INN)
PARP2
D10079 Rucaparib (USAN/INN)
PARP3
D10079 Rucaparib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG02942 PARP inhibitor
DG01864 Rucaparib
|
Other DBs |
|
LinkDB |
|
KCF data |
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
|