| Entry |
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|---|---|---|---|---|---|---|---|---|---|
| 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 | HCV NS3/4A protease [KO:K22273 K22274] | ||||||||
| Pathway |
| ||||||||
| Metabolism | Enzyme: CYP3A [HSA:1576 1577 1551] Transporter: SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234] | ||||||||
| Interaction | |||||||||
| Structure map |
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| 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 |
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| 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 |