| Entry |
|
|---|
| Name |
Pibrentasvir (JAN/USAN/INN) |
|---|
| Formula |
C57H65F5N10O8
|
|---|
| Exact mass |
1112.4907
|
|---|
| Mol weight |
1113.1802
|
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| Structure |
|
|---|
| Class |
|
|---|
| Remark |
| Product (mixture): | D11014<JP/US> |
|
|---|
| Efficacy |
Antiviral, NS5A inhibitor |
|---|
| Comment |
Treatment of HCV infection
|
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| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG01999 HCV NS5A inhibitor
D10816 Pibrentasvir
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D10816 Pibrentasvir (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 80
1 C1y C 11.7600 -17.1500
2 C1x C 12.1800 -18.4800
3 C1x C 13.5800 -18.4800
4 C1y C 14.0000 -17.1500
5 N1y N 12.8800 -16.3100
6 C8y C 12.8800 -14.9100
7 C8x C 14.0700 -14.2100
8 C8y C 14.0700 -12.8100
9 C8y C 12.8800 -12.1100
10 C8y C 11.6900 -12.8100
11 C8x C 11.6900 -14.2100
12 N1y N 12.8800 -10.7100
13 C1x C 14.0700 -10.0100
14 C1x C 14.0700 -8.6100
15 C1y C 12.8800 -7.9100
16 C1x C 11.6900 -8.6100
17 C1x C 11.6900 -10.0100
18 C8y C 12.8800 -6.5100
19 C8x C 14.0700 -5.8100
20 C8x C 14.0700 -4.4100
21 C8y C 12.8800 -3.7100
22 C8x C 11.6900 -4.4100
23 C8x C 11.6900 -5.8100
24 X F 12.8800 -2.3100
25 X F 15.3300 -12.1100
26 X F 10.5000 -12.1100
27 C8y C 15.3300 -16.7300
28 C8y C 10.3600 -16.7300
29 C8x C 10.3600 -15.3300
30 C8y C 9.1700 -14.7000
31 C8y C 7.9800 -15.4000
32 C8x C 7.9800 -16.8000
33 C8y C 9.2400 -17.5000
34 X F 9.2400 -18.9000
35 N5x N 8.8200 -13.2300
36 C8y C 7.4200 -13.2300
37 N4x N 6.9300 -14.4900
38 C1y C 6.7200 -12.0400
39 N1y N 7.2100 -10.7100
40 C1x C 6.0900 -9.8700
41 C1x C 4.9700 -10.6400
42 C1x C 5.3900 -12.0400
43 C5a C 8.4000 -10.0100
44 O5a O 9.5900 -10.7100
45 C1c C 8.4000 -8.6100
46 N1b N 9.5900 -7.9100
47 C1c C 7.2100 -7.9100
48 C7a C 9.5900 -6.5100
49 O6a O 10.7800 -5.8100
50 O7a O 8.4000 -5.8100
51 C1a C 8.4000 -4.4100
52 O2a O 6.0200 -8.6100
53 C1a C 7.2100 -6.5100
54 C1a C 4.8300 -7.9100
55 C8x C 15.3300 -15.2600
56 C8y C 16.5200 -14.6300
57 C8y C 17.7100 -15.3300
58 C8x C 17.7100 -16.7300
59 C8y C 16.4500 -17.4300
60 X F 16.4500 -18.9000
61 N5x N 16.8700 -13.1600
62 C8y C 18.2700 -13.1600
63 N4x N 18.7600 -14.4200
64 C1y C 18.9700 -11.9700
65 N1y N 18.4800 -10.6400
66 C1x C 19.6700 -9.8000
67 C1x C 20.7900 -10.5700
68 C1x C 20.3700 -11.9700
69 C5a C 17.2900 -9.9400
70 O5a O 16.1000 -10.6400
71 C1c C 17.2900 -8.5400
72 N1b N 16.1000 -7.8400
73 C1c C 18.4800 -7.8400
74 C7a C 16.1000 -6.4400
75 O6a O 14.9100 -5.6700
76 O7a O 17.2900 -5.6700
77 C1a C 17.2900 -4.2700
78 O2a O 19.7400 -8.5400
79 C1a C 18.4800 -6.4400
80 C1a C 20.9300 -7.8400
BOND 89
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 6 11 1
13 9 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 12 17 1
20 15 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 18 23 1
27 21 24 1
28 8 25 1
29 10 26 1
30 4 27 1 #Up
31 1 28 1 #Down
32 28 29 2
33 29 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 28 33 1
38 33 34 1
39 30 35 1
40 35 36 2
41 36 37 1
42 31 37 1
43 38 36 1 #Down
44 38 39 1
45 39 40 1
46 40 41 1
47 41 42 1
48 38 42 1
49 43 44 2
50 43 39 1
51 43 45 1
52 45 46 1 #Down
53 45 47 1
54 46 48 1
55 48 49 2
56 48 50 1
57 50 51 1
58 47 52 1 #Down
59 47 53 1
60 52 54 1
61 27 55 2
62 55 56 1
63 56 57 2
64 57 58 1
65 58 59 2
66 59 60 1
67 56 61 1
68 61 62 2
69 62 63 1
70 57 63 1
71 64 62 1 #Up
72 64 65 1
73 65 66 1
74 66 67 1
75 67 68 1
76 64 68 1
77 69 70 2
78 69 65 1
79 69 71 1
80 71 72 1 #Up
81 71 73 1
82 72 74 1
83 74 75 2
84 74 76 1
85 76 77 1
86 73 78 1 #Up
87 73 79 1
88 78 80 1
89 59 27 1
|
|---|
