| Entry |
|
|---|
| Name |
Darunavir (USAN/INN) |
|---|
| Product |
|
|---|
| Generic |
|
|---|
| Formula |
C27H37N3O7S
|
|---|
| Exact mass |
547.2352
|
|---|
| Mol weight |
547.6636
|
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| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
|
|---|
| Remark |
| Product (DG00659): | D03656<US> D06478<JP/US> D12637<US> D12752<US> |
| Product (mixture): | D10832<JP/US> D11382<JP/US> |
|
|---|
| Efficacy |
Antiviral, HIV protease inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| ko03260 | Virion - Human immunodeficiency virus |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
CYP inhibition: CYP3A4 [HSA: 1576]
|
|---|
| Structure map |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J05 ANTIVIRALS FOR SYSTEMIC USE
J05A DIRECT ACTING ANTIVIRALS
J05AE Protease inhibitors
J05AE10 Darunavir
D03656 Darunavir (USAN/INN) <US>
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00659 Darunavir
D03656 Darunavir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00659 Darunavir
D03656 Darunavir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00659 Darunavir
D03656 Darunavir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HIV protease inhibitor
D03656 Darunavir (USAN/INN) <US>
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D03656
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D03656
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00659 Darunavir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00659 Darunavir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00659 Darunavir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Polyprotein cleavage inhibitor
HIV protease inhibitor
DG00659 Darunavir
|
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| Other DBs |
|
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| KCF data |
ATOM 38
1 C1y C 33.7636 -15.0281
2 N1c N 25.3035 -15.6573
3 C1b C 26.4921 -14.9581
4 S4a S 24.1149 -14.9581
5 C1c C 27.7506 -15.6573
6 C8y C 22.8564 -15.6573
7 C1c C 28.9392 -14.9581
8 C1b C 28.9392 -13.5598
9 N1b N 30.1278 -15.6573
10 C8y C 27.7506 -12.8606
11 C7a C 31.3164 -14.9581
12 C8x C 26.4921 -13.5598
13 C8x C 27.7506 -11.4622
14 O7a O 32.5750 -15.6573
15 O6a O 31.3164 -13.5598
16 C8x C 25.3035 -12.8606
17 C8x C 26.4921 -10.7631
18 C8x C 25.3035 -11.4622
19 C8x C 22.8564 -17.0557
20 C8x C 21.6678 -17.7549
21 C8y C 20.4792 -17.0557
22 C8x C 20.4792 -15.6573
23 C8x C 21.6678 -14.9581
24 C1b C 25.3035 -18.1057
25 O1a O 27.6807 -17.0557
26 O3c O 25.0938 -13.9793
27 O3c O 23.1361 -13.9793
28 C1y C 35.1016 -15.4482
29 C1y C 35.9144 -14.3276
30 O2x O 35.0951 -13.1837
31 C1x C 33.7471 -13.6107
32 C1x C 35.9900 -16.5811
33 C1x C 37.2570 -16.0851
34 O2x O 37.2562 -14.7512
35 N1a N 19.2207 -17.7549
36 C1c C 26.5170 -18.7664
37 C1a C 26.5170 -20.1664
38 C1a C 27.7330 -18.0439
BOND 41
1 2 3 1
2 2 4 1
3 3 5 1
4 4 6 1
5 5 7 1
6 7 8 1 #Down
7 7 9 1
8 8 10 1
9 9 11 1
10 10 12 2
11 10 13 1
12 11 14 1
13 11 15 2
14 12 16 1
15 13 17 2
16 16 18 2
17 17 18 1
18 6 19 2
19 19 20 1
20 20 21 2
21 21 22 1
22 22 23 2
23 6 23 1
24 2 24 1
25 5 25 1 #Down
26 4 26 2
27 4 27 2
28 1 14 1 #Up
29 1 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 1 31 1
34 28 32 1
35 32 33 1
36 33 34 1
37 29 34 1
38 21 35 1
39 24 36 1
40 36 37 1
41 36 38 1
|
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