| Entry |
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|---|---|---|---|---|---|---|---|---|---|---|---|
| Name | Cabotegravir sodium (JAN/USAN); Vocabria (TN) | ||||||||||
| Product | VOCABRIA (ViiV Healthcare Company) | ||||||||||
| Formula | C19H16F2N3O5. Na | ||||||||||
| Exact mass | 427.0956 | ||||||||||
| Mol weight | 427.334 | ||||||||||
| Structure |  | ||||||||||
| Simcomp | |||||||||||
| Class | Antiviral DG03107 Anti-HIV agent DG03135 HIV integrase inhibitor Metabolizing enzyme substrate DG02924 UGT substrate DG03183 UGT1A1 substrate DG03188 UGT1A9 substrate | ||||||||||
| Remark |
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| Efficacy | Antiviral, HIV integrase inhibitor | ||||||||||
| Disease | HIV-1 infection [DS:H01563] | ||||||||||
| Target | HIV-1 integrase [KO:K24803] | ||||||||||
| Pathway |
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| Metabolism | Enzyme: UGT1A1 [HSA:54658]; UGT1A9 [HSA:54600] | ||||||||||
| Interaction | |||||||||||
| Brite | Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] J ANTIINFECTIVES FOR SYSTEMIC USE J05 ANTIVIRALS FOR SYSTEMIC USE J05A DIRECT ACTING ANTIVIRALS J05AJ Integrase inhibitors J05AJ04 Cabotegravir D10549 Cabotegravir sodium (JAN/USAN) <JP/US> USP drug classification [BR:br08302] Antivirals Anti-HIV Agents, Integrase Inhibitors (INSTI) Cabotegravir D10549 Cabotegravir sodium (JAN/USAN) Therapeutic category of drugs in Japan [BR:br08301] 6 Agents against pathologic organisms and parasites 62 Chemotherapeutics 625 Antivirals 6250 Antivirals D10549 Cabotegravir sodium (JAN/USAN) Drug groups [BR:br08330] Antiviral DG03107 Anti-HIV agent DG03135 HIV integrase inhibitor DG01628 Cabotegravir D10549 Cabotegravir sodium Metabolizing enzyme substrate DG02924 UGT substrate DG03183 UGT1A1 substrate DG01628 Cabotegravir D10549 Cabotegravir sodium DG03188 UGT1A9 substrate DG01628 Cabotegravir D10549 Cabotegravir sodium Drug classes [BR:br08332] Antiviral DG03107 Anti-HIV agent D10549 Cabotegravir sodium Antimicrobials [BR:br08307] Antivirals Genome replication inhibitor HIV integrase inhibitor D10549 Cabotegravir sodium (JAN/USAN) <JP/US> New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D10549 New drug approvals in Japan [br08318.html] Drugs with new active ingredients D10549 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D10549 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D10549 Drug groups [BR:br08330] Antiviral DG03107 Anti-HIV agent DG03135 HIV integrase inhibitor DG01628 Cabotegravir Metabolizing enzyme substrate DG02924 UGT substrate DG03183 UGT1A1 substrate DG01628 Cabotegravir DG03188 UGT1A9 substrate DG01628 Cabotegravir | ||||||||||
| Other DBs |
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| KCF data | ATOM 30 1 C8y C 17.9200 -17.4300 2 N4y N 17.9200 -16.0300 3 C8x C 19.1100 -15.3300 4 C8y C 20.3700 -16.0300 5 C8y C 20.3700 -17.4300 6 C8y C 19.1100 -18.1300 7 C5x C 16.7300 -18.1300 8 N1y N 15.4700 -17.4300 9 C1y C 15.4700 -16.0300 10 C1x C 16.7300 -15.3300 11 O5x O 16.7300 -19.5300 12 O1a O 19.1100 -19.5300 #- 13 O5x O 21.5600 -18.1300 14 C5a C 21.5600 -15.3300 15 N1b N 22.7500 -16.0300 16 O5a O 21.5600 -13.9300 17 C1b C 23.9400 -15.3300 18 C8y C 25.1300 -16.0300 19 C8x C 26.3200 -15.3300 20 C8x C 27.5800 -16.0300 21 C8y C 27.5800 -17.4300 22 C8x C 26.3900 -18.1300 23 C8y C 25.1300 -17.4300 24 X F 23.9400 -18.1300 25 X F 28.7700 -18.1300 26 O2x O 14.1400 -15.6100 27 C1x C 13.3000 -16.7300 28 C1y C 14.1400 -17.8500 29 C1a C 13.7200 -19.1800 30 Z Na 21.7000 -20.8600 #+ BOND 32 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 1 6 1 6 2 7 1 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 2 10 1 12 7 11 2 13 6 12 1 14 5 13 2 15 4 14 1 16 14 15 1 17 14 16 2 18 15 17 1 19 17 18 1 20 18 19 2 21 19 20 1 22 20 21 2 23 21 22 1 24 22 23 2 25 18 23 1 26 23 24 1 27 21 25 1 28 9 26 1 29 26 27 1 30 27 28 1 31 8 28 1 32 28 29 1 #Up |