| Entry |
|
|---|
| Name |
Beclabuvir hydrochloride (JAN/USAN) |
|---|
| Formula |
C36H45N5O5S. HCl
|
|---|
| Exact mass |
695.2908
|
|---|
| Mol weight |
696.30
|
|---|
| 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
DG01824 Beclabuvir
D10611 Beclabuvir hydrochloride
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D10611 Beclabuvir hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
DG01824 Beclabuvir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
DG01824 Beclabuvir
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 48
1 X Cl 27.1545 -19.6770
2 C8x C 13.0900 -12.3900
3 C8y C 13.0900 -13.7900
4 C8x C 14.2800 -14.4900
5 C8y C 15.5400 -13.7900
6 C8y C 15.5400 -12.3900
7 C8x C 14.2800 -11.6900
8 N4y N 16.8000 -14.2100
9 C8y C 17.5700 -13.0900
10 C8y C 16.8000 -11.9700
11 C5a C 11.9000 -14.4900
12 N1b N 10.7100 -13.7900
13 O5a O 11.9000 -15.8900
14 S4a S 9.5200 -14.4900
15 O3c O 8.4700 -13.5100
16 O3c O 10.5000 -15.4700
17 N1c N 8.4700 -15.4700
18 C1a C 7.1400 -15.1200
19 C1a C 8.8900 -16.8000
20 C8y C 18.9700 -13.0900
21 C8y C 19.8800 -14.2100
22 C1x C 17.0100 -15.5400
23 C1y C 19.5300 -15.5400
24 C1z C 18.2700 -16.1700
25 C1y C 17.2900 -10.6400
26 C1x C 18.6900 -10.3600
27 C1x C 19.1100 -9.0300
28 C1x C 18.2000 -7.9800
29 C1x C 16.8000 -8.2600
30 C1x C 16.3100 -9.5900
31 C8x C 21.2800 -14.0000
32 C8y C 21.7700 -12.6700
33 C8x C 20.8600 -11.5500
34 C8x C 19.4600 -11.7600
35 C5a C 18.2700 -17.5700
36 O5a O 17.0800 -18.2700
37 O2a O 23.1700 -12.4600
38 C1a C 24.0100 -13.5800
39 C1x C 19.4600 -16.8700
40 N1y N 22.7500 -20.5800
41 C1x C 21.7700 -19.1100
42 C1x C 21.7700 -20.0900
43 C1y C 20.3700 -19.1100
44 C1y C 20.3000 -20.0900
45 N1y N 19.5300 -18.3400
46 C1x C 19.3900 -19.7400
47 C1x C 18.8300 -20.7900
48 C1a C 23.8000 -21.4900
BOND 54
1 2 3 2
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 2
6 2 7 1
7 5 8 1
8 9 10 2
9 6 10 1
10 3 11 1
11 11 12 1
12 11 13 2
13 12 14 1
14 14 15 2
15 14 16 2
16 14 17 1
17 17 18 1
18 17 19 1
19 20 21 2
20 8 22 1
21 21 23 1
22 9 20 1
23 22 24 1
24 23 24 1
25 8 9 1
26 10 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 25 30 1
33 21 31 1
34 31 32 2
35 32 33 1
36 33 34 2
37 20 34 1
38 24 35 1
39 35 36 2
40 32 37 1
41 37 38 1
42 24 39 1 #Down
43 23 39 1 #Down
44 41 43 1
45 42 44 1
46 43 45 1
47 43 46 1
48 44 47 1
49 44 45 1
50 46 47 1
51 40 41 1
52 40 42 1
53 40 48 1
54 35 45 1
|
|---|
