| Entry |
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| Name |
Dolutegravir sodium (JAN/USAN);
Tivicay (TN) |
|---|
| Product |
|
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| Formula |
C20H18F2N3O5. Na
|
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| Exact mass |
441.1112
|
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| Mol weight |
441.3606
|
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| Structure |
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| Simcomp |
|
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| Class |
Metabolizing enzyme substrate
DG02913 CYP3A4 substrate
DG02924 UGT substrate
Transporter inhibitor
DG02863 SLC22A2 (OCT2) inhibitor
DG02864 SLC47A1 (MATE1) inhibitor
|
|---|
| Remark |
| Therapeutic category: | 6250 |
| Product (DG00667): | D10113<JP/US> |
| Product (mixture): | D10600<JP/US> D11282<JP/US> D11522<JP/US> |
|
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| Efficacy |
Antiviral, HIV integrase inhibitor |
|---|
| Disease |
|
|---|
| Target |
HIV-1 integrase |
|---|
| Metabolism |
Enzyme: UGT1A1 [HSA: 54658]; CYP3A4 [HSA: 1576]
|
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| Interaction |
Transporter inhibition: SLC22A2 [HSA: 6582], SLC47A1 [HSA: 55244]
|
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| 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)
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
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| 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
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