Entry |
|
Name |
Deleobuvir (USAN/INN) |
Formula |
C34H33BrN6O3
|
Exact mass |
652.1798
|
Mol weight |
653.57
|
Structure |

|
Simcomp |
|
Class |
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
|
Remark |
|
Efficacy |
Antiviral, NS5B polymerase inhibitor |
Comment |
Treatment of hepatitis C infection
|
Target |
HCV NS5B polymerase [KO: K22472] |
Pathway |
|
Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
DG01828 Deleobuvir
D10554 Deleobuvir
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D10554 Deleobuvir (USAN/INN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02000 HCV NS5B polymerase inhibitor
DG01828 Deleobuvir
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 44
1 C8y C 14.1689 -14.9449
2 C8y C 14.1689 -16.3477
3 C8x C 15.3613 -17.0492
4 C8x C 16.6239 -16.3477
5 C8y C 16.6239 -14.9449
6 C8x C 15.3613 -14.2435
7 N4y N 12.8362 -14.5240
8 C8y C 11.9945 -15.6463
9 C8y C 12.8362 -16.7686
10 C8y C 10.5916 -15.6463
11 N5x N 9.8902 -14.4539
12 C8x C 8.4873 -14.4539
13 C8y C 7.7859 -15.6463
14 C8x C 8.4873 -16.8387
15 N5x N 9.8902 -16.8387
16 X Br 6.3830 -15.6463
17 C1y C 12.4153 -18.1013
18 C1x C 11.0826 -18.5222
19 C1x C 11.0826 -19.9250
20 C1x C 12.4153 -20.3459
21 C1x C 13.2570 -19.2236
22 C1a C 12.4153 -13.1913
23 C5a C 17.8163 -14.2435
24 N1b N 19.0087 -14.9449
25 O5a O 17.8163 -12.8406
26 C1z C 20.2012 -14.2435
27 C8y C 21.3936 -14.9449
28 C1x C 19.2893 -13.2615
29 C1x C 21.2533 -13.3316
30 C1x C 20.2713 -12.2795
31 C8y C 23.5680 -14.2435
32 C8y C 23.5680 -15.6463
33 C8x C 24.7605 -16.3477
34 C8x C 26.0230 -15.6463
35 C8y C 26.0230 -14.2435
36 C8x C 24.7605 -13.5420
37 N5x N 22.2353 -13.8226
38 N4y N 22.2353 -16.0672
39 C1a C 21.8145 -17.3999
40 C2b C 27.2321 -13.5320
41 C2b C 28.4443 -14.2187
42 C6a C 29.6671 -13.4989
43 O6a O 30.8787 -14.1846
44 O6a O 29.6548 -12.0691
BOND 50
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 1 7 1
8 7 8 1
9 8 9 2
10 2 9 1
11 8 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 13 16 1
19 9 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 17 21 1
25 7 22 1
26 5 23 1
27 23 24 1
28 23 25 2
29 24 26 1
30 26 27 1
31 28 26 1
32 29 30 1
33 28 30 1
34 26 29 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 31 37 1
42 37 27 2
43 32 38 1
44 38 39 1
45 38 27 1
46 35 40 1
47 40 41 2
48 41 42 1
49 42 43 1
50 42 44 2
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