| Entry |
|
|---|
| Name |
Balapiravir hydrochloride (USAN) |
|---|
| Formula |
C21H30N6O8. HCl
|
|---|
| Exact mass |
530.1892
|
|---|
| Mol weight |
530.9592
|
|---|
| 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
D09583 Balapiravir hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 X Cl 31.7219 -23.6137
2 C1z C 22.6800 -21.9100
3 C1y C 23.1000 -23.2400
4 C1y C 24.5000 -23.2400
5 C1y C 24.9200 -21.9100
6 O2x O 23.8000 -21.0700
7 N4y N 26.1100 -21.2100
8 C1b C 21.4900 -21.2100
9 O7a O 25.6900 -23.9400
10 O7a O 21.9100 -23.9400
11 C8x C 27.3000 -21.9100
12 C8x C 28.5600 -21.2100
13 C8y C 28.5600 -19.8100
14 N5x N 27.3000 -19.1100
15 C8y C 26.1100 -19.8100
16 O5x O 24.9200 -19.1100
17 N1a N 29.7500 -19.1100
18 C7a C 25.6900 -25.3400
19 C7a C 21.9100 -25.3400
20 O6a O 24.5000 -26.0400
21 C1c C 26.8800 -26.0400
22 O6a O 23.1000 -26.0400
23 C1c C 20.7200 -26.0400
24 C1a C 28.1400 -25.3400
25 C1a C 26.8800 -27.4400
26 C1a C 19.4600 -25.3400
27 C1a C 20.7200 -27.4400
28 N0 N 20.3000 -21.9100 #+
29 N2b N 21.4900 -22.6100
30 N2a N 18.9000 -22.8200 #-
31 O7a O 21.4900 -19.8100
32 C7a C 20.3000 -19.1100
33 C1c C 19.1100 -19.8100
34 O6a O 20.3000 -17.7100
35 C1a C 17.9200 -19.1100
36 C1a C 19.1100 -21.2100
BOND 36
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 2 6 1
6 5 7 1 #Up
7 2 8 1 #Up
8 4 9 1 #Down
9 3 10 1 #Down
10 7 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 7 15 1
16 15 16 2
17 13 17 1
18 9 18 1
19 10 19 1
20 18 20 2
21 18 21 1
22 19 22 2
23 19 23 1
24 21 24 1
25 21 25 1
26 23 26 1
27 23 27 1
28 28 29 2
29 2 29 1 #Down
30 28 30 2
31 8 31 1
32 31 32 1
33 32 33 1
34 32 34 2
35 33 35 1
36 33 36 1
|
|---|
