| Entry |
|
|---|
| Name |
Voxilaprevir (USAN/INN) |
|---|
| Formula |
C40H52F4N6O9S
|
|---|
| Exact mass |
868.3453
|
|---|
| Mol weight |
868.9343
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
|
|---|
| Remark |
| Product (mixture): | D10900<US> |
|
|---|
| Efficacy |
Antiviral |
|---|
| Comment |
Treatment of hepatitis C viral infection
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
D10899 Voxilaprevir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HCV NS3/4A inhibitor
D10899 Voxilaprevir (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 60
1 C1y C 21.1400 -25.6200
2 C1y C 21.1400 -27.0200
3 O7x O 22.3300 -27.7200
4 C1x C 23.5900 -25.6200
5 C1x C 22.3300 -24.9200
6 C1x C 25.9700 -25.6200
7 C1x C 24.7800 -24.9200
8 O2x O 27.2300 -27.7200
9 C8y C 28.4200 -27.0200
10 C8y C 28.4200 -25.6200
11 C1z C 27.2300 -24.9200
12 N5x N 29.6100 -27.7200
13 C8y C 30.8700 -27.0200
14 C8y C 30.8700 -25.6200
15 N5x N 29.6100 -24.9200
16 C8x C 32.0600 -27.7200
17 C8y C 33.2500 -27.0200
18 C8x C 33.2500 -25.6200
19 C8x C 32.0600 -24.9200
20 X F 27.9300 -23.7300
21 X F 26.5300 -23.7300
22 C1x C 19.9500 -26.3200
23 C7x C 22.3300 -29.1200
24 O6a O 21.0700 -29.8200
25 C1d C 22.2600 -31.9200
26 C1y C 23.5200 -31.2200
27 N1x N 23.5200 -29.8200
28 C1a C 21.0700 -31.2200
29 C1a C 22.2600 -33.3200
30 C1a C 21.0700 -32.6200
31 C5x C 24.7100 -31.9200
32 O5x O 24.7100 -33.3200
33 C1y C 27.2300 -29.4700
34 C1x C 25.9000 -29.8900
35 N1y N 25.9000 -31.2900
36 C1y C 27.2300 -31.7100
37 C1y C 28.0700 -30.5900
38 O2a O 34.4400 -27.7200
39 C1a C 35.6300 -27.0200
40 C1b C 29.4700 -30.5900
41 C1a C 30.1700 -29.4000
42 C1z C 30.9400 -32.4800
43 C5a C 32.1300 -31.7800
44 N1b N 33.3200 -32.5500
45 O5a O 32.1300 -30.3100
46 C1x C 30.2400 -33.6700
47 C1y C 31.5700 -33.6700
48 S4a S 34.7200 -31.8500
49 C1z C 35.8400 -32.6900
50 O3c O 35.3500 -30.6600
51 O3c O 33.9500 -30.6600
52 C1x C 37.1700 -32.6900
53 C1x C 36.6100 -31.4300
54 C5a C 28.4200 -32.4800
55 N1b N 29.7500 -31.9200
56 O5a O 28.4200 -33.8800
57 C1a C 35.8400 -34.0900
58 C1c C 32.7600 -34.3700
59 X F 33.9500 -33.6700
60 X F 32.7600 -35.7700
BOND 66
1 1 2 1
2 2 3 1 #Down
3 4 5 1
4 1 5 1 #Up
5 6 7 1
6 4 7 1
7 8 9 1
8 9 10 1
9 10 11 1
10 6 11 1
11 9 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 10 15 2
16 13 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 11 20 1
22 11 21 1
23 22 2 1
24 1 22 1
25 3 23 1
26 23 24 2
27 26 25 1 #Down
28 26 27 1
29 23 27 1
30 25 28 1
31 25 29 1
32 25 30 1
33 26 31 1
34 31 32 2
35 33 8 1 #Down
36 34 35 1
37 35 36 1
38 36 37 1
39 37 33 1
40 33 34 1
41 31 35 1
42 17 38 1
43 38 39 1
44 37 40 1 #Up
45 40 41 1
46 42 43 1 #Down
47 43 44 1
48 43 45 2
49 42 46 1
50 42 47 1
51 46 47 1
52 44 48 1
53 48 49 1
54 48 50 2
55 48 51 2
56 49 52 1
57 49 53 1
58 53 52 1
59 54 55 1
60 54 56 2
61 42 55 1 #Up
62 49 57 1
63 36 54 1 #Up
64 47 58 1 #Down
65 58 59 1
66 58 60 1
|
|---|
