| Entry |
|
|---|
| Name |
Deleobuvir sodium (JAN/USAN) |
|---|
| Formula |
C34H32BrN6O3. Na
|
|---|
| Exact mass |
674.1617
|
|---|
| Mol weight |
675.55
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiviral, NS5B polymerase inhibitor |
|---|
| Comment |
Treatment of hepatitis C infection
|
|---|
| Target |
HCV NS5B polymerase [KO: K22472] |
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
DG01828 Deleobuvir
D10622 Deleobuvir sodium
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D10622 Deleobuvir sodium (JAN/USAN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
DG01828 Deleobuvir
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 45
1 C8y C 9.5200 -15.3300
2 C8y C 9.5200 -16.8000
3 C8x C 10.7100 -17.5000
4 C8x C 11.9700 -16.8000
5 C8y C 11.9700 -15.3300
6 C8x C 10.7100 -14.6300
7 N4y N 8.1900 -14.9100
8 C8y C 7.3500 -16.1000
9 C8y C 8.1900 -17.2200
10 C8y C 5.9500 -16.1000
11 N5x N 5.2500 -14.8400
12 C8x C 3.8500 -14.8400
13 C8y C 3.1500 -16.1000
14 C8x C 3.8500 -17.2900
15 N5x N 5.2500 -17.2900
16 X Br 1.7500 -16.1000
17 C1y C 7.7700 -18.5500
18 C1x C 6.4400 -18.9700
19 C1x C 6.4400 -20.3700
20 C1x C 7.7700 -20.7900
21 C1x C 8.6100 -19.6700
22 C1a C 7.7700 -13.5800
23 C5a C 13.2300 -14.6300
24 N1b N 14.4200 -15.3300
25 O5a O 13.2300 -13.2300
26 C1z C 15.6100 -14.6300
27 C8y C 16.8000 -15.3300
28 C1x C 14.7000 -13.6500
29 C1x C 16.6600 -13.7200
30 C1x C 15.6800 -12.6700
31 C8y C 18.9700 -14.6300
32 C8y C 18.9700 -16.1000
33 C8x C 20.1600 -16.8000
34 C8x C 21.4200 -16.1000
35 C8y C 21.4200 -14.6300
36 C8x C 20.1600 -13.9300
37 N5x N 17.6400 -14.2100
38 N4y N 17.6400 -16.5200
39 C1a C 17.2200 -17.8500
40 C2b C 22.6100 -13.9300
41 C2b C 23.8000 -14.6300
42 C6a C 25.0600 -13.9300
43 O6a O 26.2500 -14.6300 #-
44 O6a O 25.0600 -12.4600
45 Z Na 28.2100 -14.1400 #+
BOND 50
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 1 7 1
8 7 8 1
9 8 9 2
10 2 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 9 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 17 21 1
25 7 22 1
26 5 23 1
27 23 24 1
28 23 25 2
29 24 26 1
30 26 27 1
31 28 26 1
32 29 30 1
33 28 30 1
34 26 29 1
35 31 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 31 36 1
41 31 37 1
42 37 27 2
43 32 38 1
44 38 39 1
45 38 27 1
46 35 40 1
47 40 41 2
48 41 42 1
49 42 43 1
50 42 44 2
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