| Entry |
| ||||||
|---|---|---|---|---|---|---|---|
| Name | Remdesivir (JAN/USAN); Veklury (TN) | ||||||
| Product | VEKLURY (Gilead Sciences) | ||||||
| Formula | C27H35N6O8P | ||||||
| Exact mass | 602.2254 | ||||||
| Mol weight | 602.576 | ||||||
| Structure |  | ||||||
| Class | Antiviral DG03174 Anti-SARS-CoV-2 agent Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02970 CES substrate Transporter substrate DG03001 CTSA substrate | ||||||
| Remark |
| ||||||
| Efficacy | Antiviral, RNA polymerase inhibitor | ||||||
| Disease | Coronavirus disease 2019 [DS:H02398] | ||||||
| Comment | Active form of prodrug: GS-441524 [CPD:C22275] nucleoside analog Treatment of viral infections (broad-spectrum) | ||||||
| Target | SARS coronavirus replicase [KO:K24149] | ||||||
| Pathway |
| ||||||
| Metabolism | Enzyme: CES [HSA:1066 8824 23491 221223]; CTSA [HSA:5476], CYP3A [HSA:1576 1577 1551] | ||||||
| Interaction | |||||||
| Brite | Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] J ANTIINFECTIVES FOR SYSTEMIC USE J05 ANTIVIRALS FOR SYSTEMIC USE J05A DIRECT ACTING ANTIVIRALS J05AB Nucleosides and nucleotides excl. reverse transcriptase inhibitors J05AB16 Remdesivir D11472 Remdesivir (JAN/USAN) <JP/US> Therapeutic category of drugs in Japan [BR:br08301] 6 Agents against pathologic organisms and parasites 62 Chemotherapeutics 625 Antivirals 6250 Antivirals D11472 Remdesivir (JAN/USAN) Drug groups [BR:br08330] Antiviral DG03174 Anti-SARS-CoV-2 agent D11472 Remdesivir Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate D11472 Remdesivir DG02970 CES substrate D11472 Remdesivir Transporter substrate DG03001 CTSA substrate D11472 Remdesivir Drug classes [BR:br08332] Antiviral DG03174 Anti-SARS-CoV-2 agent D11472 Remdesivir Antimicrobials [BR:br08307] Antivirals Genome replication inhibitor Other inhibitor D11472 Remdesivir (JAN/USAN) <JP/US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D11472 New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D11472 New drug approvals in Japan [br08318.html] Drugs with new active ingredients D11472 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D11472 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D11472 Prodrugs [br08324.html] D11472 | ||||||
| Other DBs |
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| KCF data | ATOM 42 1 C8y C 29.6800 -15.4000 2 N4y N 31.0800 -14.9800 3 C1z C 28.3500 -15.8200 4 C8x C 28.9100 -14.2100 5 C8y C 31.0800 -13.5800 6 N5x N 32.3400 -15.7500 7 O2x O 27.1600 -14.9800 8 C1y C 27.8600 -17.2200 9 C8x C 29.7500 -13.0900 10 C8y C 32.3400 -12.9500 11 C8x C 33.5300 -15.1200 12 C1y C 26.0400 -15.8200 13 C1y C 26.4600 -17.2200 14 O1a O 28.7700 -18.3400 15 N5x N 33.5300 -13.7200 16 N1a N 32.3400 -11.5500 17 O1a O 25.6900 -18.3400 18 C3b C 29.5400 -16.5200 19 N3a N 30.8000 -17.2200 20 C1b C 24.8500 -15.1200 21 O2b O 23.6600 -15.8200 22 P1b P 22.4419 -15.1299 23 N1b N 21.2295 -15.8299 24 C1c C 19.9982 -15.1190 25 C7a C 18.8018 -15.8099 26 O2b O 22.4360 -13.7204 27 O3b O 23.6544 -14.4299 28 C8y C 23.6709 -13.0003 29 C8x C 24.8864 -13.6952 30 C8x C 26.0958 -12.9899 31 C8x C 26.0898 -11.5899 32 C8x C 24.8742 -10.8951 33 C8x C 23.6648 -11.6003 34 C1a C 19.9981 -13.7202 35 O7a O 17.6149 -15.1246 36 O6a O 18.8016 -17.2197 37 C1b C 16.4234 -15.8127 38 C1c C 15.2341 -15.1261 39 C1b C 14.0438 -15.8135 40 C1b C 15.2338 -13.7202 41 C1a C 14.0410 -13.0315 42 C1a C 12.8538 -15.1265 BOND 45 1 1 2 1 2 3 1 1 #Up 3 1 4 2 4 2 5 1 5 2 6 1 6 3 7 1 7 3 8 1 8 4 9 1 9 5 10 1 10 6 11 2 11 7 12 1 12 8 13 1 13 8 14 1 #Down 14 10 15 2 15 10 16 1 16 13 17 1 #Down 17 5 9 2 18 11 15 1 19 12 13 1 20 3 18 1 #Down 21 18 19 3 22 20 21 1 23 12 20 1 #Up 24 21 22 1 25 22 23 1 #Down 26 23 24 1 27 24 25 1 28 22 26 1 #Up 29 22 27 2 30 26 28 1 31 28 29 2 32 29 30 1 33 30 31 2 34 31 32 1 35 32 33 2 36 28 33 1 37 24 34 1 #Down 38 25 35 1 39 25 36 2 40 35 37 1 41 37 38 1 42 38 39 1 43 38 40 1 44 40 41 1 45 39 42 1 |