| Entry |
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| Name | Dolutegravir sodium (JAN/USAN); Tivicay (TN) | ||||||||||
| Product | TIVICAY (DOH CENTRAL PHARMACY), DOLUTEGRAVIR SODIUM (ViiV Healthcare Company) | ||||||||||
| Formula | C20H18F2N3O5. Na | ||||||||||
| Exact mass | 441.1112 | ||||||||||
| Mol weight | 441.3606 | ||||||||||
| Structure |  | ||||||||||
| Simcomp | |||||||||||
| Class | Antiviral DG03107 Anti-HIV agent DG03135 HIV integrase inhibitor Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG02924 UGT substrate DG03183 UGT1A1 substrate Transporter inhibitor DG02863 SLC22A2 inhibitor DG02864 SLC47A1 inhibitor | ||||||||||
| 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]; CYP3A4 [HSA:1576] | ||||||||||
| Interaction | Transporter inhibition: SLC22A2 [HSA:6582], SLC47A1 [HSA:55244] | ||||||||||
| Structure map |
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| 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 J05AJ03 Dolutegravir D10113 Dolutegravir sodium (JAN/USAN) <JP/US> USP drug classification [BR:br08302] Antivirals Anti-HIV Agents, Integrase Inhibitors (INSTI) Dolutegravir D10113 Dolutegravir sodium (JAN/USAN) Therapeutic category of drugs in Japan [BR:br08301] 6 Agents against pathologic organisms and parasites 62 Chemotherapeutics 625 Antivirals 6250 Antivirals D10113 Dolutegravir sodium (JAN/USAN) Drug groups [BR:br08330] Antiviral DG03107 Anti-HIV agent DG03135 HIV integrase inhibitor DG00667 Dolutegravir D10113 Dolutegravir sodium Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG00667 Dolutegravir D10113 Dolutegravir sodium DG02924 UGT substrate DG03183 UGT1A1 substrate DG00667 Dolutegravir D10113 Dolutegravir sodium Transporter inhibitor DG02863 SLC22A2 inhibitor DG00667 Dolutegravir D10113 Dolutegravir sodium DG02864 SLC47A1 inhibitor DG00667 Dolutegravir D10113 Dolutegravir sodium Drug classes [BR:br08332] Antiviral DG03107 Anti-HIV agent D10113 Dolutegravir sodium Antimicrobials [BR:br08307] Antivirals Genome replication inhibitor HIV integrase inhibitor D10113 Dolutegravir sodium (JAN/USAN) <JP/US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D10113 New drug approvals in Europe [br08329.html] European public assessment reports (EPAR) authorised medicine D10113 New drug approvals in Japan [br08318.html] Drugs with new active ingredients D10113 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D10113 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D10113 Drug transporters D10113 Pharmacogenomic biomarkers [br08341.html] Polymorphisms and mutations affecting drug response D10113 Drug groups [BR:br08330] Antiviral DG03107 Anti-HIV agent DG03135 HIV integrase inhibitor DG00667 Dolutegravir Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG00667 Dolutegravir DG02924 UGT substrate DG03183 UGT1A1 substrate DG00667 Dolutegravir Transporter inhibitor DG02863 SLC22A2 inhibitor DG00667 Dolutegravir DG02864 SLC47A1 inhibitor DG00667 Dolutegravir Antimicrobials abbreviations [BR:br08327] Antivirals Genome replication inhibitor HIV integrase inhibitor DG00667 Dolutegravir | ||||||||||
| Other DBs |
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| KCF data | ATOM 31 1 C8y C 21.5600 -21.8400 2 N4y N 21.5600 -20.4400 3 C8x C 22.7500 -19.7400 4 C8y C 24.0100 -20.4400 5 C8y C 24.0100 -21.8400 6 C8y C 22.7500 -22.5400 7 C5x C 20.3700 -22.5400 8 N1y N 19.1100 -21.8400 9 C1y C 19.1100 -20.4400 10 C1x C 20.3700 -19.7400 11 C1y C 17.8500 -22.5400 12 C1x C 16.6600 -21.8400 13 C1x C 16.6600 -20.4400 14 O2x O 17.8500 -19.7400 15 O5x O 20.3700 -23.9400 16 O1a O 22.7500 -23.9400 #- 17 O5x O 25.2000 -22.5400 18 C5a C 25.2000 -19.7400 19 N1b N 26.3900 -20.4400 20 O5a O 25.2000 -18.3400 21 C1b C 27.5800 -19.7400 22 C8y C 28.7700 -20.4400 23 C8x C 29.9600 -19.7400 24 C8x C 31.2200 -20.4400 25 C8y C 31.2200 -21.8400 26 C8x C 30.0300 -22.5400 27 C8y C 28.7700 -21.8400 28 X F 27.5800 -22.5400 29 X F 32.4100 -22.5400 30 C1a C 19.1100 -23.2400 31 Z Na 24.6400 -24.5700 #+ BOND 33 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 8 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 9 14 1 17 7 15 2 18 6 16 1 19 5 17 2 20 4 18 1 21 18 19 1 22 18 20 2 23 19 21 1 24 21 22 1 25 22 23 2 26 23 24 1 27 24 25 2 28 25 26 1 29 26 27 2 30 22 27 1 31 27 28 1 32 25 29 1 33 11 30 1 #Down |