| Entry |
|
|---|
| Name |
Glecaprevir (USAN/INN) |
|---|
| Formula |
C38H46F4N6O9S
|
|---|
| Exact mass |
838.2983
|
|---|
| Mol weight |
838.8653
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
|
|---|
| Remark |
| Product (mixture): | D11014<JP/US> |
|
|---|
| Efficacy |
Antiviral, Protease inhibitor |
|---|
| Comment |
Treatment of hepatitis C infection
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
DG01983 Glecaprevir
D10814 Glecaprevir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HCV NS3/4A inhibitor
D10814 Glecaprevir (USAN/INN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
DG01983 Glecaprevir
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 58
1 C8x C 4.4800 -12.6000
2 C8x C 4.4800 -14.0000
3 C8x C 5.6700 -14.7000
4 C8y C 6.9300 -14.0000
5 C8y C 6.9300 -12.6000
6 C8x C 5.6700 -11.9000
7 N5x N 8.1200 -14.7000
8 C8y C 9.3100 -14.0000
9 C8y C 9.3100 -12.6000
10 N5x N 8.1200 -11.9000
11 O2x O 10.5700 -14.7000
12 C1z C 10.5700 -11.9000
13 C1y C 10.5700 -16.1000
14 C2x C 11.7600 -12.6000
15 X F 11.2700 -10.7100
16 X F 9.8700 -10.7100
17 C2x C 12.9500 -11.9000
18 C1x C 14.1400 -12.6000
19 O2x O 15.3300 -11.9000
20 C1y C 16.5200 -12.6000
21 C1y C 16.5200 -14.0000
22 O7x O 15.3300 -14.7000
23 C7x C 15.3300 -16.1000
24 O6a O 16.5200 -16.8000
25 N1x N 14.1400 -16.8000
26 C1y C 14.1400 -18.2000
27 C1d C 15.3300 -18.9000
28 C5x C 12.9500 -18.9000
29 N1y N 11.7600 -18.2000
30 O5x O 12.9500 -20.3000
31 C1x C 17.8500 -14.4200
32 C1x C 18.6900 -13.3000
33 C1x C 17.8500 -12.1800
34 C1x C 11.7600 -16.8000
35 C1y C 10.1500 -18.6200
36 C1x C 9.3800 -17.1500
37 N1b N 8.0500 -19.8100
38 C5a C 9.4500 -19.8100
39 O5a O 10.1500 -21.0000
40 C1a C 16.5200 -18.2000
41 C1a C 15.3300 -20.3000
42 C1a C 16.5200 -19.6000
43 C1z C 7.3500 -21.0000
44 C5a C 5.9500 -21.0000
45 C1x C 6.6500 -22.1900
46 C1y C 8.0500 -22.1900
47 C1c C 9.2400 -22.8900
48 X F 10.4300 -22.1900
49 X F 9.2400 -24.2900
50 O5a O 5.2500 -19.8100
51 N1b N 5.2500 -22.1900
52 S4a S 3.8500 -22.1900
53 C1z C 3.1500 -23.3800
54 C1a C 1.7500 -23.3800
55 C1x C 2.4500 -24.5700
56 C1x C 3.8500 -24.5700
57 O3c O 3.8500 -20.7900
58 O3c O 2.4500 -22.1900
BOND 64
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 8 11 1
13 9 12 1
14 11 13 1
15 12 14 1
16 12 15 1
17 12 16 1
18 14 17 2
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 2
26 23 25 1
27 25 26 1
28 26 27 1 #Up
29 26 28 1
30 28 29 1
31 28 30 2
32 21 31 1
33 31 32 1
34 32 33 1
35 20 33 1
36 29 34 1
37 34 13 1
38 29 35 1
39 13 36 1
40 35 36 1
41 37 38 1
42 35 38 1 #Down
43 38 39 2
44 27 40 1
45 27 41 1
46 27 42 1
47 37 43 1
48 43 44 1 #Down
49 45 46 1
50 46 43 1
51 43 45 1
52 46 47 1 #Down
53 47 48 1
54 47 49 1
55 44 50 2
56 44 51 1
57 51 52 1
58 52 53 1
59 53 54 1
60 55 56 1
61 56 53 1
62 53 55 1
63 52 57 2
64 52 58 2
|
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