| Entry |
|
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| Name |
Paritaprevir (USAN/INN) |
|---|
| Formula |
C40H43N7O7S
|
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| Exact mass |
765.2945
|
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| Mol weight |
765.8771
|
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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 |
Paritaprevir is primarily metabolized by CYP3A4/5 enzymes.
Paritaprevir is an inhibitor and a substrate of P-gp, BCRP and OATP1B1/1B3.
|
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| Target |
|
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| Pathway |
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| Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
DG01820 Paritaprevir
D10580 Paritaprevir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HCV NS3/4A inhibitor
D10580 Paritaprevir (USAN/INN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
DG01820 Paritaprevir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Polyprotein cleavage inhibitor
HCV NS3/4A inhibitor
DG01820 Paritaprevir
|
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| Other DBs |
|
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| KCF data |
ATOM 55
1 C1y C 19.3900 -16.1700
2 C1x C 20.5800 -16.6600
3 C1y C 21.4900 -15.6800
4 N1y N 20.7900 -14.4900
5 C1x C 19.5300 -14.7700
6 C5x C 22.8900 -15.6800
7 N1x N 23.5900 -14.5600
8 O5x O 22.8900 -13.3000
9 C5x C 21.4900 -13.3000
10 O5x O 23.6600 -16.8000
11 C1x C 22.8200 -10.9200
12 C1x C 21.4200 -10.9200
13 C1y C 20.7200 -12.0400
14 C1x C 25.4800 -10.8500
15 C1x C 24.8500 -9.6600
16 C1x C 23.5200 -9.6600
17 C1y C 26.8100 -13.5800
18 C2x C 27.5800 -12.2500
19 C2x C 26.8800 -10.8500
20 C1z C 25.8300 -14.5600
21 C1x C 27.0900 -14.9100
22 C8y C 17.7800 -18.2000
23 O2a O 17.7800 -16.8000
24 N1b N 19.3200 -12.1100
25 C5a C 18.6200 -10.8500
26 C8y C 17.2900 -10.8500
27 O5a O 19.3200 -9.6600
28 N5x N 16.5900 -9.6600
29 C8x C 15.1900 -9.6600
30 C8y C 14.4900 -10.8500
31 N5x N 15.1900 -12.0400
32 C8x C 16.5900 -12.0400
33 C1a C 13.0900 -10.8500
34 N5x N 16.5900 -18.9000
35 C8y C 16.5900 -20.3000
36 C8y C 17.7800 -21.0000
37 C8y C 18.9700 -20.3000
38 C8y C 18.9700 -18.9000
39 C8x C 20.2300 -21.0000
40 C8x C 21.4200 -20.3000
41 C8x C 21.4200 -18.9000
42 C8x C 20.2300 -18.2000
43 C8x C 15.3300 -21.0000
44 C8x C 15.3300 -22.4000
45 C8x C 16.5900 -23.1000
46 C8x C 17.7800 -22.4000
47 C5a C 25.8300 -15.9600
48 N1b N 24.6400 -16.6600
49 O5a O 27.0200 -16.6600
50 S4a S 24.6400 -18.0600
51 O3c O 26.0400 -18.0600
52 O3c O 23.2400 -18.0600
53 C1y C 24.6400 -19.4600
54 C1x C 23.9400 -20.6500
55 C1x C 25.3400 -20.6500
BOND 62
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 6 7 1
7 8 9 2
8 4 9 1
9 6 10 2
10 11 12 1
11 12 13 1
12 13 9 1
13 14 15 1
14 11 16 1
15 18 19 2
16 14 19 1
17 17 20 1
18 20 21 1
19 21 17 1
20 20 7 1
21 18 17 1
22 22 23 1
23 1 23 1 #Up
24 3 6 1
25 16 15 1
26 13 24 1 #Up
27 24 25 1
28 25 26 1
29 25 27 2
30 26 28 2
31 28 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 26 32 1
36 30 33 1
37 22 34 2
38 34 35 1
39 35 36 1
40 36 37 1
41 37 38 1
42 22 38 1
43 37 39 2
44 39 40 1
45 40 41 2
46 41 42 1
47 38 42 2
48 35 43 2
49 43 44 1
50 44 45 2
51 45 46 1
52 36 46 2
53 20 47 1 #Down
54 47 48 1
55 47 49 2
56 48 50 1
57 50 51 2
58 50 52 2
59 50 53 1
60 54 55 1
61 55 53 1
62 53 54 1
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