Entry |
|
Name |
Ledipasvir (USAN/INN) |
Formula |
C49H54F2N8O6
|
Exact mass |
888.4134
|
Mol weight |
888.9999
|
Structure |
|
Simcomp |
|
Class |
|
Remark |
Product (mixture): | D10578<JP/US> |
|
Efficacy |
Antiviral, NS5A inhibitor |
Comment |
Treatment of chronic hepatitis C infection
|
Target |
|
Pathway |
|
Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG01999 HCV NS5A inhibitor
DG01818 Ledipasvir
D10442 Ledipasvir
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D10442 Ledipasvir (USAN/INN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG01999 HCV NS5A inhibitor
DG01818 Ledipasvir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
DG01818 Ledipasvir
|
Other DBs |
|
KCF data |
ATOM 65
1 C8y C 19.0400 -16.7300
2 C8y C 19.4600 -18.1300
3 C8y C 20.8600 -18.1300
4 C8y C 21.2800 -16.8000
5 C1z C 20.1600 -15.9600
6 C8x C 21.7000 -19.1800
7 C8x C 23.1000 -18.9700
8 C8y C 23.5900 -17.6400
9 C8x C 22.6800 -16.5900
10 C8x C 17.6400 -16.4500
11 C8y C 16.7300 -17.4300
12 C8x C 17.0800 -18.7600
13 C8x C 18.4800 -19.1100
14 X F 21.2100 -14.9800
15 X F 19.1800 -14.9800
16 C8x C 24.7800 -15.5400
17 C8y C 24.7800 -16.9400
18 C8x C 25.9700 -17.6400
19 C8y C 27.2300 -16.9400
20 C8y C 27.2300 -15.5400
21 C8x C 25.9700 -14.8400
22 N5x N 28.5600 -17.3600
23 C8y C 29.3300 -16.2400
24 N4x N 28.5600 -15.1200
25 C1y C 30.7300 -16.2400
26 C1y C 31.4300 -17.4300
27 C1x C 32.8300 -17.4300
28 C1x C 33.5300 -16.2400
29 C1y C 32.8300 -15.0500
30 N1y N 31.4300 -15.0500
31 C5a C 30.7300 -13.8600
32 O5a O 29.3300 -13.8600
33 C1c C 31.4300 -12.6700
34 C1c C 32.8300 -12.6700
35 N1b N 30.7300 -11.4800
36 C1a C 33.5300 -13.8600
37 C1a C 33.5300 -11.4800
38 C7a C 29.3300 -11.4800
39 O7a O 28.6300 -10.2900
40 O6a O 28.6300 -12.6700
41 C1a C 27.2300 -10.2900
42 C1x C 31.6400 -15.9600
43 N4x N 13.5800 -15.6800
44 C8y C 13.1600 -17.0100
45 N5x N 14.2800 -17.8500
46 C8y C 15.4000 -17.0100
47 C8x C 14.9800 -15.6800
48 C1y C 11.8300 -17.4300
49 C1x C 10.5000 -16.9400
50 C1z C 9.6600 -18.0600
51 C1x C 10.5000 -19.2500
52 N1y N 11.8300 -18.8300
53 C5a C 12.9500 -19.6700
54 O5a O 14.2100 -19.1100
55 C1c C 12.9500 -21.0700
56 C1c C 11.7600 -21.7700
57 C1a C 10.5700 -21.0700
58 C1a C 11.7600 -23.1700
59 N1b N 14.1400 -21.7700
60 C7a C 15.4000 -21.0700
61 O7a O 16.5900 -21.8400
62 O6a O 15.4000 -19.6700
63 C1a C 17.7800 -21.1400
64 C1x C 8.4700 -18.8300
65 C1x C 8.4700 -17.4300
BOND 74
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 3 6 2
7 6 7 1
8 7 8 2
9 8 9 1
10 4 9 2
11 1 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 2 13 2
16 5 14 1
17 5 15 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 19 22 1
25 22 23 2
26 23 24 1
27 20 24 1
28 25 23 1 #Up
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 25 30 1
35 30 31 1
36 31 32 2
37 33 31 1
38 33 34 1 #Up
39 33 35 1
40 34 36 1
41 34 37 1
42 35 38 1
43 38 39 1
44 38 40 2
45 39 41 1
46 26 42 1 #Up
47 29 42 1 #Up
48 17 8 1
49 43 44 1
50 44 45 2
51 45 46 1
52 46 47 2
53 43 47 1
54 46 11 1
55 48 44 1 #Up
56 48 49 1
57 49 50 1
58 50 51 1
59 51 52 1
60 48 52 1
61 52 53 1
62 53 54 2
63 55 53 1
64 55 56 1 #Up
65 56 57 1
66 56 58 1
67 55 59 1
68 59 60 1
69 60 61 1
70 60 62 2
71 61 63 1
72 64 50 1
73 65 64 1
74 50 65 1
|