| Entry |
| ||||||
|---|---|---|---|---|---|---|---|
| Name | Velpatasvir (JAN/USAN/INN) | ||||||
| Abbr | VEL | ||||||
| Formula | C49H54N8O8 | ||||||
| Exact mass | 882.4065 | ||||||
| Mol weight | 883.0019 | ||||||
| Structure |  | ||||||
| Class | Antiviral DG03198 Anti-HCV agent DG01999 HCV NS5A inhibitor | ||||||
| Remark |
| ||||||
| Efficacy | Antiviral, NS5A inhibitor | ||||||
| Comment | Treatment of hepatitis C infection | ||||||
| Target | HCV NS5A [KO:K22275] | ||||||
| Pathway |
| ||||||
| Brite | Drug groups [BR:br08330] Antiviral DG03198 Anti-HCV agent DG01999 HCV NS5A inhibitor D10806 Velpatasvir Antimicrobials [BR:br08307] Antivirals Genome replication inhibitor HCV NS5A/NS5B inhibitor D10806 Velpatasvir (JAN/USAN/INN) Antimicrobials abbreviations [BR:br08327] Antivirals Genome replication inhibitor HCV NS5A/NS5B inhibitor D10806 Velpatasvir (JAN/USAN/INN) | ||||||
| Other DBs |
| ||||||
| KCF data | ATOM 65 1 N1b N 28.4555 -21.2870 2 C7a C 27.2676 -21.9858 3 O7a O 26.0798 -21.2870 4 C1a C 24.8220 -21.9858 5 O6a O 27.2676 -23.4531 6 C1y C 30.9011 -16.9548 7 N1y N 29.7132 -17.7933 8 C1y C 28.5952 -16.9548 9 C1x C 29.0145 -15.6272 10 C1x C 30.4120 -15.6272 11 C5a C 29.7132 -19.1908 12 C1c C 28.4555 -19.8896 13 O5a O 30.9011 -19.8896 14 C1c C 27.2676 -19.1209 15 C1a C 26.0798 -19.8197 16 C1a C 27.2676 -17.7235 17 C8y C 32.2986 -16.9548 18 N4x N 33.1371 -18.0728 19 C8y C 34.4647 -17.6536 20 C8y C 34.4647 -16.2561 21 N5x N 33.1371 -15.8369 22 C8y C 35.7224 -18.3523 23 C8y C 36.9103 -17.6536 24 C8x C 36.9103 -16.2561 25 C8x C 35.7224 -15.5574 26 C1a C 27.1978 -16.7452 27 C8x C 35.7224 -19.7498 28 C8y C 36.9801 -20.4485 29 C8y C 38.0980 -19.7498 30 C8x C 38.0981 -18.3523 31 O2x O 36.9801 -21.8460 32 C1x C 38.1680 -22.5448 33 C8y C 39.3558 -21.8460 34 C8y C 39.3558 -20.4485 35 C8x C 40.6136 -22.5448 36 C8y C 41.8014 -21.7762 37 C8x C 41.8014 -20.3787 38 C8x C 40.5437 -19.7498 39 C8y C 42.9893 -22.4749 40 O5a O 42.1508 -25.7590 41 C5a C 42.9194 -26.8071 42 N1y N 44.3169 -26.8071 43 C1y C 44.9458 -25.5494 44 C1x C 45.3650 -27.7853 45 C1y C 46.5529 -27.1565 46 C1x C 46.3433 -25.7590 47 C1c C 42.2906 -28.2046 48 N1b N 40.8931 -28.2046 49 C7a C 40.2642 -29.3924 50 O6a O 40.9630 -30.5803 51 C8y C 42.9893 -29.3924 52 C8x C 42.2906 -30.5803 53 C8x C 42.9893 -31.7681 54 C8x C 44.3868 -31.7681 55 C8x C 45.0855 -30.5104 56 C8x C 44.3868 -29.3924 57 N4x N 43.1290 -23.8724 58 C8y C 44.5265 -24.1519 59 N5x N 45.2253 -22.9640 60 C8x C 44.2470 -21.9159 61 O7a O 38.8667 -29.3924 62 C1a C 38.1680 -30.5803 63 C1b C 47.8106 -27.7853 64 O2a O 48.9985 -27.0167 65 C1a C 50.2562 -27.6456 BOND 73 1 1 2 1 2 2 3 1 3 3 4 1 4 2 5 2 5 7 8 1 6 8 9 1 7 9 10 1 8 10 6 1 9 7 6 1 10 7 11 1 11 11 12 1 12 11 13 2 13 14 15 1 14 14 16 1 15 12 14 1 #Up 16 1 12 1 17 6 17 1 #Up 18 17 18 1 19 18 19 1 20 19 20 2 21 20 21 1 22 17 21 2 23 19 22 1 24 22 23 2 25 23 24 1 26 24 25 2 27 20 25 1 28 8 26 1 #Up 29 22 27 1 30 27 28 2 31 28 29 1 32 29 30 2 33 23 30 1 34 28 31 1 35 31 32 1 36 32 33 1 37 33 34 1 38 29 34 1 39 33 35 2 40 35 36 1 41 36 37 2 42 37 38 1 43 34 38 2 44 36 39 1 45 40 41 2 46 41 42 1 47 42 43 1 48 42 44 1 49 44 45 1 50 45 46 1 51 43 46 1 52 41 47 1 53 47 48 1 #Up 54 48 49 1 55 49 50 2 56 51 52 2 57 52 53 1 58 53 54 2 59 54 55 1 60 55 56 2 61 51 56 1 62 47 51 1 63 39 57 1 64 57 58 1 65 58 59 2 66 59 60 1 67 43 58 1 #Down 68 49 61 1 69 61 62 1 70 45 63 1 #Down 71 63 64 1 72 64 65 1 73 60 39 2 |