| Entry |
|
|---|
| Name |
Atamparib (USAN/INN) |
|---|
| Formula |
C20H23F6N7O3
|
|---|
| Exact mass |
523.1767
|
|---|
| Mol weight |
523.43
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, PARP7 inhibitor |
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Pentosyltransferases
TIPARP (PARP7)
D12408 Atamparib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C1b C 13.5800 -14.1400
2 O2a O 14.7700 -14.8400
3 C1b C 15.9600 -14.1400
4 C1b C 17.1500 -14.8400
5 C5a C 18.3400 -14.1400
6 N1y N 19.5300 -14.8400
7 O5a O 18.3400 -12.7400
8 C1x C 19.5300 -16.2400
9 C1x C 20.7900 -16.9400
10 N1y N 21.9800 -16.2400
11 C1x C 21.9800 -14.8400
12 C1x C 20.7900 -14.1400
13 C8y C 23.1700 -16.9400
14 N5x N 23.1700 -18.3400
15 C8x C 24.4300 -19.0400
16 C8y C 25.6200 -18.3400
17 C8x C 25.6200 -16.9400
18 N5x N 24.4300 -16.2400
19 C1d C 26.8100 -19.0400
20 X F 28.0700 -19.7400
21 X F 26.1100 -20.2300
22 X F 27.5100 -17.8500
23 C1c C 12.3900 -14.8400
24 N1b N 11.2000 -14.1400
25 C8y C 10.0100 -14.8400
26 C8y C 7.5600 -14.8400
27 N4x N 7.5600 -16.2400
28 N5x N 8.7500 -16.9400
29 C8x C 10.0100 -16.2400
30 C8y C 8.7500 -14.1400
31 C1d C 8.7500 -12.7400
32 X F 7.3500 -12.7400
33 X F 10.1500 -12.7400
34 X F 8.7500 -11.3400
35 O5x O 6.3700 -14.1400
36 C1a C 12.3900 -16.2400
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 5 7 2
7 6 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 6 12 1
13 10 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 16 19 1
21 19 20 1
22 19 21 1
23 19 22 1
24 1 23 1
25 23 24 1
26 24 25 1
27 26 27 1
28 27 28 1
29 28 29 2
30 29 25 1
31 25 30 2
32 26 30 1
33 30 31 1
34 31 32 1
35 31 33 1
36 31 34 1
37 26 35 2
38 23 36 1 #Down
|
|---|
