| Entry |
|
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| Name |
Faldaprevir sodium (JAN/USAN) |
|---|
| Formula |
C40H48BrN6O9S. Na
|
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| Exact mass |
890.2285
|
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| Mol weight |
891.80
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
|
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| Remark |
|
|---|
| Efficacy |
Antiviral, Protease inhibitor |
|---|
| Comment |
Treatment of chronic Hepatitis C infection
|
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| Target |
|
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| Pathway |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J05 ANTIVIRALS FOR SYSTEMIC USE
J05A DIRECT ACTING ANTIVIRALS
J05AP Antivirals for treatment of HCV infections
J05AP04 Faldaprevir
D10462 Faldaprevir sodium (JAN/USAN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
D10462 Faldaprevir sodium
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HCV NS3/4A inhibitor
D10462 Faldaprevir sodium (JAN/USAN)
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 58
1 Z Na 23.7300 -12.9500 #+
2 C1y C 16.5900 -11.9700
3 C5a C 17.9900 -11.9700
4 O5a O 18.6900 -13.1600
5 N1b N 18.6900 -10.7800
6 C2b C 22.7500 -8.9600
7 C2a C 24.1500 -8.9600
8 C1y C 22.0500 -10.1500
9 C1z C 20.7900 -10.7800
10 C1x C 22.0500 -11.5500
11 C6a C 20.7900 -12.1800
12 O6a O 19.6000 -12.8800
13 O6a O 21.9800 -12.8800 #-
14 N1y N 15.7500 -10.8500
15 C1x C 14.4200 -11.2700
16 C1y C 14.4200 -12.6700
17 C1x C 15.7500 -13.0900
18 C5a C 15.7500 -9.4500
19 O5a O 16.9400 -8.7500
20 C1c C 14.5600 -8.7500
21 C1d C 14.5600 -7.3500
22 C1a C 15.7500 -6.6500
23 C1a C 13.3700 -6.6500
24 C1a C 14.5600 -5.9500
25 N1b N 13.3700 -9.4500
26 C7a C 12.1800 -8.7500
27 O7a O 10.9900 -9.4500
28 O6a O 12.1800 -7.3500
29 C1y C 9.8000 -8.7500
30 C1x C 9.6600 -7.3500
31 C1x C 8.2600 -7.0700
32 C1x C 7.5600 -8.2600
33 C1x C 8.4700 -9.3100
34 O2a O 13.2300 -13.3700
35 C8y C 13.2300 -14.7700
36 C8y C 12.0400 -15.4700
37 C8y C 12.0400 -16.8700
38 N5x N 13.2300 -17.5700
39 C8y C 14.4200 -16.8700
40 C8x C 14.4200 -15.4700
41 C8x C 10.7800 -14.7700
42 C8x C 9.5900 -15.4700
43 C8y C 9.5900 -16.8700
44 C8y C 10.7800 -17.5700
45 X Br 10.7800 -18.9700
46 O2a O 8.4000 -17.5700
47 C1a C 7.2100 -16.8700
48 C8y C 15.6100 -17.5700
49 C8x C 16.0300 -18.9000
50 S2x S 17.5000 -18.9000
51 C8y C 17.9200 -17.5700
52 N5x N 16.8000 -16.7300
53 N1b N 19.1100 -16.8700
54 C5a C 20.3000 -17.5700
55 C1c C 21.4900 -16.8700
56 O5a O 20.3000 -18.9700
57 C1a C 22.6800 -17.5700
58 C1a C 21.4900 -15.4700
BOND 62
1 2 3 1 #Down
2 3 4 2
3 3 5 1
4 6 7 2
5 8 6 1 #Down
6 9 10 1
7 10 8 1
8 9 8 1
9 9 11 1 #Down
10 11 12 2
11 11 13 1
12 5 9 1
13 2 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 2 17 1
18 14 18 1
19 18 19 2
20 20 18 1 #Up
21 20 21 1
22 21 22 1
23 21 23 1
24 21 24 1
25 20 25 1
26 25 26 1
27 26 27 1
28 26 28 2
29 27 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 29 33 1
35 16 34 1 #Up
36 34 35 1
37 35 36 2
38 36 37 1
39 37 38 2
40 38 39 1
41 39 40 2
42 35 40 1
43 36 41 1
44 41 42 2
45 42 43 1
46 43 44 2
47 37 44 1
48 44 45 1
49 43 46 1
50 46 47 1
51 39 48 1
52 48 49 2
53 49 50 1
54 50 51 1
55 51 52 2
56 48 52 1
57 53 54 1
58 53 51 1
59 54 55 1
60 54 56 2
61 55 57 1
62 55 58 1
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