Entry |
|
Name |
Veliparib (JAN/USAN/INN) |
Formula |
C13H16N4O
|
Exact mass |
244.1324
|
Mol weight |
244.2923
|
Structure |
|
Class |
Antineoplastic
DG02942 PARP inhibitor
|
Remark |
|
Efficacy |
Antineoplastic (enhancer), PARP inhibitor |
Target |
|
Pathway |
|
Interaction |
|
Other map |
map04212 | Longevity regulating pathway - worm |
|
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
L01XK05 Veliparib
D09692 Veliparib (JAN/USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG02942 PARP inhibitor
D09692 Veliparib
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Pentosyltransferases
PARP
D09692 Veliparib (JAN/USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 18
1 C8x C 19.6153 -26.2758
2 C8x C 19.6153 -27.6772
3 C8x C 20.8290 -28.3780
4 C8y C 22.0428 -27.6772
5 C8y C 22.0428 -26.2758
6 C8y C 20.8290 -25.5750
7 N4x N 23.3757 -28.1103
8 C8y C 24.1994 -26.9765
9 N5x N 23.3757 -25.8427
10 C1z C 25.5716 -26.9765
11 N1x N 26.3953 -28.1103
12 C1x C 27.7282 -27.6772
13 C1x C 27.7282 -26.2758
14 C1x C 26.3953 -25.8427
15 C5a C 20.8290 -24.1738
16 O5a O 19.5985 -23.4631
17 N1a N 22.0258 -23.4826
18 C1a C 24.8708 -25.7628
BOND 20
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 1
9 8 9 2
10 5 9 1
11 10 8 1 #Up
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 6 15 1
18 15 16 2
19 15 17 1
20 10 18 1 #Down
|