| Entry |
|
|---|
| Name |
Balapiravir (USAN/INN) |
|---|
| Formula |
C21H30N6O8
|
|---|
| Exact mass |
494.2125
|
|---|
| Mol weight |
494.50
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiviral |
|---|
| Comment |
Treatment of Dengue virus infection
|
|---|
| Target |
HCV NS5B polymerase [KO: K22472] Dengue virus RNA-dependent RNA polymerase |
|---|
| Pathway |
|
|---|
| Brite |
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D09582 Balapiravir (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C1z C 27.1600 -28.4200
2 C1y C 27.5800 -29.7500
3 C1y C 28.9800 -29.7500
4 C1y C 29.4000 -28.4200
5 O2x O 28.2800 -27.5800
6 N4y N 30.5900 -27.7200
7 C1b C 25.9700 -27.7200
8 O7a O 30.1700 -30.4500
9 O7a O 26.3900 -30.4500
10 C8x C 31.7800 -28.4200
11 C8x C 33.0400 -27.7200
12 C8y C 33.0400 -26.3200
13 N5x N 31.7800 -25.6200
14 C8y C 30.5900 -26.3200
15 O5x O 29.4000 -25.6200
16 N1a N 34.2300 -25.6200
17 C7a C 30.1700 -31.8500
18 C7a C 26.3900 -31.8500
19 O6a O 28.9800 -32.5500
20 C1c C 31.3600 -32.5500
21 O6a O 27.5800 -32.5500
22 C1c C 25.2000 -32.5500
23 C1a C 32.6200 -31.8500
24 C1a C 31.3600 -33.9500
25 C1a C 23.9400 -31.8500
26 C1a C 25.2000 -33.9500
27 N0 N 24.7800 -28.4200 #+
28 N2b N 25.9700 -29.1200
29 N2a N 23.3800 -29.3300 #-
30 O7a O 25.9700 -26.3200
31 C7a C 24.7576 -25.6200
32 C1c C 23.5621 -26.3104
33 O6a O 24.7575 -24.2202
34 C1a C 22.3747 -25.6249
35 C1a C 23.5620 -27.7197
BOND 36
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 1 #Up
7 1 7 1 #Up
8 3 8 1 #Down
9 2 9 1 #Down
10 6 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 6 14 1
16 14 15 2
17 12 16 1
18 8 17 1
19 9 18 1
20 17 19 2
21 17 20 1
22 18 21 2
23 18 22 1
24 20 23 1
25 20 24 1
26 22 25 1
27 22 26 1
28 27 28 2
29 1 28 1 #Down
30 27 29 2
31 7 30 1
32 30 31 1
33 31 32 1
34 31 33 2
35 32 34 1
36 32 35 1
|
|---|
