Entry |
|
Name |
Vaniprevir (JAN/USAN/INN); Vanihep (TN) |
Abbr |
VPV |
Formula |
C38H55N5O9S
|
Exact mass |
757.372
|
Mol weight |
757.9364
|
Structure |
|
Class |
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
Transporter substrate
DG02856 SLCO1B1 substrate
DG02932 SLCO1B3 substrate
|
Efficacy |
Antiviral, Protease inhibitor |
Comment |
Treatment of hepatitis C virus
|
Target |
|
Pathway |
|
Metabolism |
|
Interaction |
|
Structure map |
|
Brite |
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
D09987 Vaniprevir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
D09987 Vaniprevir
Transporter substrate
DG02856 SLCO1B1 substrate
D09987 Vaniprevir
DG02932 SLCO1B3 substrate
D09987 Vaniprevir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HCV NS3/4A inhibitor
D09987 Vaniprevir (JAN/USAN/INN)
Antimicrobials abbreviations [BR:br08327]
Antivirals
Polyprotein cleavage inhibitor
HCV NS3/4A inhibitor
D09987 Vaniprevir (JAN/USAN/INN)
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D09987
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D09987
Drug transporters
D09987
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 53
1 C1x C 15.5302 -7.1176
2 C1x C 15.5302 -8.3621
3 C1x C 16.7056 -9.0535
4 C1x C 16.7056 -6.4262
5 C8y C 16.7056 -5.0434
6 C8y C 17.8810 -4.3520
7 C8y C 17.8810 -2.9693
8 C8x C 16.7056 -2.2779
9 C8x C 15.5302 -2.9693
10 C8x C 15.5302 -4.3520
11 C1z C 16.7056 -10.2980
12 C1x C 17.9501 -10.9894
13 O7x O 19.1255 -10.2980
14 C7x C 19.1255 -9.0535
15 N1x N 20.3009 -8.3621
16 C1x C 19.1946 -4.7669
17 N1y N 20.0243 -3.6606
18 C1x C 19.1946 -2.5544
19 C1a C 15.3228 -10.2980
20 C1a C 16.0142 -11.6117
21 O6a O 17.9501 -8.3621
22 C7x C 21.4071 -3.6606
23 O7x O 22.0985 -4.8360
24 O6a O 22.0985 -2.4853
25 C1y C 21.4762 -9.0535
26 C5x C 23.4121 -8.2238
27 C1d C 21.4762 -10.5746
28 C1a C 22.6516 -11.2660
29 C1a C 20.3009 -11.2660
30 C1a C 21.4762 -11.9574
31 O5x O 24.5875 -9.0535
32 C1y C 23.3430 -4.8360
33 N1y N 24.1727 -5.9422
34 C1y C 25.4172 -5.5274
35 C1x C 25.4172 -4.1446
36 C1x C 24.1727 -3.7298
37 C5a C 26.5925 -6.2188
38 N1b N 27.7679 -5.5274
39 O5a O 26.5925 -7.6016
40 C1z C 28.9433 -6.2188
41 C5a C 30.1186 -5.5274
42 N1b N 31.2940 -6.2188
43 O5a O 30.1186 -4.1446
44 C1x C 28.2519 -7.3942
45 C1y C 29.6347 -7.3942
46 S4a S 32.5385 -5.5274
47 C1y C 33.7244 -6.2385
48 O3c O 33.2299 -4.3299
49 O3c O 31.8471 -4.3299
50 C1x C 34.4158 -7.4359
51 C1x C 35.1072 -6.2385
52 C1b C 30.8321 -8.0856
53 C1a C 32.0057 -7.4085
BOND 58
1 1 2 1
2 2 3 1
3 1 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 2
8 8 9 1
9 9 10 2
10 5 10 1
11 3 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 6 16 1
17 16 17 1
18 17 18 1
19 7 18 1
20 11 19 1
21 11 20 1
22 14 21 2
23 17 22 1
24 22 23 1
25 22 24 2
26 15 25 1
27 25 26 1
28 25 27 1 #Down
29 27 28 1
30 27 29 1
31 27 30 1
32 26 31 2
33 32 23 1 #Down
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 32 36 1
39 33 26 1
40 34 37 1 #Up
41 37 38 1
42 37 39 2
43 40 38 1 #Up
44 40 41 1 #Down
45 41 42 1
46 41 43 2
47 40 44 1
48 40 45 1
49 44 45 1
50 42 46 1
51 46 47 1
52 46 48 2
53 46 49 2
54 47 50 1
55 47 51 1
56 51 50 1
57 45 52 1 #Down
58 52 53 1
|