| Entry |
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|---|---|---|---|---|---|---|---|---|---|---|---|
| Name | Cabotegravir (JAN/USAN/INN); Vocabria (TN) | ||||||||||
| Product | APRETUDE (ViiV Healthcare Company) | ||||||||||
| Formula | C19H17F2N3O5 | ||||||||||
| Exact mass | 405.1136 | ||||||||||
| Mol weight | 405.3522 | ||||||||||
| 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 | ||||||||||
| 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 D10548 Cabotegravir (JAN/USAN/INN) <JP/US> USP drug classification [BR:br08302] Antivirals Anti-HIV Agents, Integrase Inhibitors (INSTI) Cabotegravir D10548 Cabotegravir (JAN/USAN/INN) Therapeutic category of drugs in Japan [BR:br08301] 6 Agents against pathologic organisms and parasites 62 Chemotherapeutics 625 Antivirals 6250 Antivirals D10548 Cabotegravir (JAN/USAN/INN) Drug groups [BR:br08330] Antiviral DG03107 Anti-HIV agent DG03135 HIV integrase inhibitor DG01628 Cabotegravir D10548 Cabotegravir Metabolizing enzyme substrate DG02924 UGT substrate DG03183 UGT1A1 substrate DG01628 Cabotegravir D10548 Cabotegravir DG03188 UGT1A9 substrate DG01628 Cabotegravir D10548 Cabotegravir Drug classes [BR:br08332] Antiviral DG03107 Anti-HIV agent D10548 Cabotegravir Antimicrobials [BR:br08307] Antivirals Genome replication inhibitor HIV integrase inhibitor D10548 Cabotegravir (JAN/USAN/INN) <JP/US> New drug approvals in Japan [br08318.html] Drugs with new active ingredients D10548 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D10548 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D10548 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 29 1 C8y C 18.0600 -17.4300 2 N4y N 18.0600 -16.0300 3 C8x C 19.2500 -15.3300 4 C8y C 20.5100 -16.0300 5 C8y C 20.5100 -17.4300 6 C8y C 19.2500 -18.1300 7 C5x C 16.8700 -18.1300 8 N1y N 15.6100 -17.4300 9 C1y C 15.6100 -16.0300 10 C1x C 16.8700 -15.3300 11 O5x O 16.8700 -19.5300 12 O1a O 19.2500 -19.5300 13 O5x O 21.7000 -18.1300 14 C5a C 21.7000 -15.3300 15 N1b N 22.8900 -16.0300 16 O5a O 21.7000 -13.9300 17 C1b C 24.0800 -15.3300 18 C8y C 25.2700 -16.0300 19 C8x C 26.4600 -15.3300 20 C8x C 27.7200 -16.0300 21 C8y C 27.7200 -17.4300 22 C8x C 26.5300 -18.1300 23 C8y C 25.2700 -17.4300 24 X F 24.0800 -18.1300 25 X F 28.9100 -18.1300 26 O2x O 14.2785 -15.5974 27 C1x C 13.4556 -16.7300 28 C1y C 14.2785 -17.8626 29 C1a C 13.8497 -19.1822 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 |