| Entry |
|
|---|
| Name |
Ombitasvir (USAN/INN) |
|---|
| Formula |
C50H67N7O8
|
|---|
| Exact mass |
893.5051
|
|---|
| Mol weight |
894.1091
|
|---|
| Structure |
|
|---|
| Class |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiviral, NS5A inhibitor |
|---|
| Comment |
Treatment of hepatitis C
Ombitasvir is metabolized by P-gp.
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG01999 HCV NS5A inhibitor
DG01819 Ombitasvir
D10576 Ombitasvir
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D10576 Ombitasvir (USAN/INN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG01999 HCV NS5A inhibitor
DG01819 Ombitasvir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
DG01819 Ombitasvir
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 65
1 C8x C 17.3924 -13.9642
2 C8x C 17.3924 -15.3609
3 C8y C 18.5796 -16.0593
4 C8x C 19.8367 -15.3609
5 C8x C 19.8367 -13.9642
6 C8y C 18.5796 -13.2658
7 N1y N 18.5796 -17.4560
8 C1d C 18.5796 -11.8691
9 C1a C 18.5796 -10.4723
10 C1a C 17.1829 -11.8691
11 C1a C 19.9764 -11.8691
12 C1y C 17.4622 -18.2941
13 C1x C 17.8813 -19.6210
14 C1x C 19.2780 -19.6210
15 C1y C 19.7669 -18.2941
16 C8x C 20.9541 -16.1990
17 C8y C 20.9541 -17.5957
18 C8x C 22.1413 -18.2941
19 C8x C 23.3984 -17.5957
20 C8y C 23.3984 -16.1990
21 C8x C 22.1413 -15.5006
22 C8y C 13.8307 -16.1990
23 C8x C 13.8307 -17.5957
24 C8x C 15.0179 -18.2941
25 C8y C 16.2750 -17.5957
26 C8x C 16.2750 -16.1990
27 C8x C 15.0179 -15.5006
28 N1b N 12.6435 -15.5006
29 C5a C 11.4562 -16.1990
30 C1y C 10.2690 -15.5006
31 O5a O 11.4562 -17.5957
32 N1y N 9.0818 -16.3387
33 C1x C 7.9644 -15.5006
34 C1x C 8.3834 -14.1737
35 C1x C 9.7801 -14.1737
36 C5a C 9.0818 -17.7354
37 C1c C 7.8247 -18.4338
38 O5a O 10.2690 -18.4338
39 C1c C 6.6375 -17.6656
40 C1a C 5.4502 -18.3639
41 C1a C 6.6375 -16.2688
42 N1b N 7.8247 -19.8305
43 C7a C 6.6375 -20.5289
44 O7a O 5.4502 -19.8305
45 C1a C 4.1932 -20.5289
46 O6a O 6.6375 -21.9256
47 N1b N 24.5856 -15.5006
48 C5a C 25.7729 -16.1990
49 C1y C 26.9601 -15.5006
50 O5a O 25.7729 -17.5957
51 N1y N 28.1473 -16.3387
52 C1x C 29.2647 -15.5006
53 C1x C 28.8457 -14.1737
54 C1x C 27.4490 -14.1737
55 C5a C 28.1473 -17.7354
56 C1c C 29.4044 -18.4338
57 O5a O 26.9601 -18.4338
58 C1c C 30.5916 -17.6656
59 C1a C 31.7789 -18.3639
60 C1a C 30.5916 -16.2688
61 N1b N 29.4044 -19.8305
62 C7a C 30.5916 -20.5289
63 O7a O 31.7789 -19.8305
64 C1a C 33.0359 -20.5289
65 O6a O 30.5916 -21.9256
BOND 70
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 3 7 1
8 6 8 1
9 8 9 1
10 8 10 1
11 8 11 1
12 7 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 7 15 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 16 21 1
23 15 17 1 #Down
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 22 27 1
30 12 25 1 #Up
31 22 28 1
32 28 29 1
33 30 29 1 #Up
34 29 31 2
35 32 33 1
36 33 34 1
37 34 35 1
38 35 30 1
39 32 30 1
40 32 36 1
41 36 37 1
42 36 38 2
43 37 39 1
44 39 40 1
45 39 41 1
46 37 42 1 #Up
47 42 43 1
48 43 44 1
49 44 45 1
50 43 46 2
51 47 48 1
52 49 48 1 #Down
53 48 50 2
54 51 52 1
55 52 53 1
56 53 54 1
57 54 49 1
58 51 49 1
59 51 55 1
60 55 56 1
61 55 57 2
62 56 58 1
63 58 59 1
64 58 60 1
65 56 61 1 #Down
66 61 62 1
67 62 63 1
68 63 64 1
69 62 65 2
70 47 20 1
|
|---|
