| Entry |
|
|---|
| Name |
Dolutegravir (USAN);
Tivicay (TN) |
|---|
| Formula |
C20H19F2N3O5
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|---|
| Exact mass |
419.1293
|
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| Mol weight |
419.3788
|
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| Structure |
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| Simcomp |
|
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| Class |
|
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| Remark |
| Product (DG00667): | D10113<JP/US> |
| Product (mixture): | D10600<JP/US> D11522<JP/US> |
|
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| Efficacy |
Antiviral, HIV integrase inhibitor |
|---|
| Comment |
Treatment of HIV infection
|
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| Target |
|
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| Pathway |
|
|---|
| Metabolism |
Enzyme: UGT1A1 [HSA: 54658]; CYP3A4 [HSA: 1576]
|
|---|
| 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
D10066 Dolutegravir (USAN)
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG03135 HIV integrase inhibitor
DG00667 Dolutegravir
D10066 Dolutegravir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00667 Dolutegravir
D10066 Dolutegravir
DG02924 UGT substrate
DG03183 UGT1A1 substrate
DG00667 Dolutegravir
D10066 Dolutegravir
Transporter inhibitor
DG02863 SLC22A2 inhibitor
DG00667 Dolutegravir
D10066 Dolutegravir
DG02864 SLC47A1 inhibitor
DG00667 Dolutegravir
D10066 Dolutegravir
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HIV integrase inhibitor
D10066 Dolutegravir (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10066
Drug transporters
D10066
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
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| Other DBs |
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| KCF data |
ATOM 30
1 C8y C 17.0100 -20.8600
2 N4y N 17.0100 -19.4600
3 C8x C 18.2000 -18.7600
4 C8y C 19.4600 -19.4600
5 C8y C 19.4600 -20.8600
6 C8y C 18.2000 -21.5600
7 C5x C 15.8200 -21.5600
8 N1y N 14.5600 -20.8600
9 C1y C 14.5600 -19.4600
10 C1x C 15.8200 -18.7600
11 C1y C 13.3700 -21.5600
12 C1x C 12.1800 -20.8600
13 C1x C 12.1800 -19.4600
14 O2x O 13.3700 -18.7600
15 O5x O 15.8200 -22.9600
16 O1a O 18.2000 -22.9600
17 O5x O 20.6500 -21.5600
18 C5a C 20.6500 -18.7600
19 N1b N 21.8400 -19.4600
20 O5a O 20.6500 -17.3600
21 C1b C 23.0300 -18.7600
22 C8y C 24.2200 -19.4600
23 C8x C 25.4100 -18.7600
24 C8x C 26.6700 -19.4600
25 C8y C 26.6700 -20.8600
26 C8x C 25.4800 -21.5600
27 C8y C 24.2200 -20.8600
28 X F 23.0300 -21.5600
29 X F 27.8600 -21.5600
30 C1a C 14.5600 -22.2600
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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