| Entry |
|
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| Name |
Coblopasvir (INN) |
|---|
| Formula |
C41H50N8O8
|
|---|
| Exact mass |
782.3752
|
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| Mol weight |
782.88
|
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| Structure |
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| Class |
|
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| Remark |
|
|---|
| Efficacy |
Antiviral, NS5A inhibitor |
|---|
| 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
J05AP12 Coblopasvir
D12247 Coblopasvir (INN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG01999 HCV NS5A inhibitor
D12247 Coblopasvir
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D12247 Coblopasvir (INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 57
1 C8x C 35.4306 -21.6403
2 C8y C 35.8509 -23.0412
3 C8x C 34.0297 -21.3601
4 C8y C 33.1192 -22.3408
5 C8y C 33.4694 -23.6716
6 C8y C 34.8703 -24.0218
7 N4x N 29.9671 -20.5897
8 C8y C 29.5469 -21.9205
9 N5x N 30.6676 -22.7610
10 C8y C 31.7883 -21.9205
11 C8x C 31.3680 -20.5897
12 C1y C 28.2160 -22.3408
13 C1x C 26.8852 -21.8505
14 C1x C 26.0446 -22.9712
15 C1x C 26.8852 -24.1619
16 N1y N 28.2160 -23.7417
17 C5a C 29.3367 -24.5822
18 O5a O 30.5976 -24.0218
19 C1c C 29.3367 -25.9831
20 C1c C 28.1460 -26.6835
21 C1a C 26.9552 -25.9831
22 C1a C 28.1460 -28.0844
23 N1b N 30.5275 -26.6835
24 C7a C 31.7883 -25.9831
25 O7a O 32.9791 -26.7536
26 O6a O 31.7883 -24.5822
27 C1a C 32.9495 -28.1398
28 O2x O 32.7034 -24.8957
29 C1x C 33.6309 -26.0025
30 O2x O 34.9701 -25.4624
31 C8y C 37.1955 -23.3801
32 C8x C 37.5758 -24.7199
33 C8x C 38.9333 -25.0622
34 C8y C 39.9085 -24.0577
35 C8x C 39.5282 -22.7180
36 C8x C 38.1707 -22.3756
37 C8y C 41.2642 -24.4006
38 N4x N 41.7106 -25.7449
39 C8y C 43.1245 -25.7368
40 N5x N 43.5537 -24.3895
41 C8x C 42.4051 -23.5650
42 C1y C 43.9635 -26.8773
43 C1x C 43.5377 -28.2148
44 C1x C 44.6781 -29.0331
45 C1x C 45.8087 -28.2014
46 N1y N 45.3671 -26.8691
47 C5a C 46.1757 -25.7422
48 C1c C 47.5946 -25.7426
49 O5a O 45.5492 -24.5205
50 N1b N 48.2888 -24.5412
51 C1c C 48.3032 -26.9706
52 C1a C 49.6998 -26.9709
53 C1a C 47.6109 -28.1687
54 C7a C 49.6997 -24.5415
55 O6a O 50.3878 -23.3506
56 O7a O 50.4120 -25.7754
57 C1a C 51.7999 -25.7755
BOND 63
1 1 2 1
2 1 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 2 6 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 7 11 1
12 10 4 1
13 12 8 1 #Up
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 12 16 1
19 16 17 1
20 17 18 2
21 19 17 1
22 19 20 1 #Up
23 20 21 1
24 20 22 1
25 19 23 1
26 23 24 1
27 24 25 1
28 24 26 2
29 25 27 1
30 5 28 1
31 28 29 1
32 29 30 1
33 6 30 1
34 2 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 31 36 1
41 34 37 1
42 37 38 1
43 38 39 1
44 39 40 2
45 40 41 1
46 37 41 2
47 42 39 1 #Up
48 42 43 1
49 43 44 1
50 44 45 1
51 45 46 1
52 42 46 1
53 46 47 1
54 47 48 1
55 47 49 2
56 48 50 1 #Up
57 48 51 1
58 51 52 1
59 51 53 1
60 50 54 1
61 54 55 2
62 54 56 1
63 56 57 1
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