| Entry |
|
|---|
| Name |
Darunavir propylene glycolate |
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| Product |
|
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| Generic |
|
|---|
| Formula |
C27H37N3O7S. C3H8O2
|
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| Exact mass |
623.2877
|
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| Mol weight |
623.76
|
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| Structure |
|
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| 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
|
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| Remark |
| Product (DG00659): | D03656<US> D06478<JP/US> D12637<US> D12752<US> |
|
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| Efficacy |
Antiviral, HIV protease inhibitor |
|---|
| Disease |
Human immunodeficiency virus infection [DS: H01563] |
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| Target |
|
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| Pathway |
| ko03260 | Virion - Human immunodeficiency virus |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
CYP inhibition: CYP3A4 [HSA: 1576]
|
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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
J05AE Protease inhibitors
J05AE10 Darunavir
D12752 Darunavir propylene glycolate <US>
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00659 Darunavir
D12752 Darunavir propylene glycolate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00659 Darunavir
D12752 Darunavir propylene glycolate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00659 Darunavir
D12752 Darunavir propylene glycolate
Drug classes [BR:br08332]
Antiviral
DG03107 Anti-HIV agent
D12752 Darunavir propylene glycolate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12752
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 43
1 C1y C 24.0497 -15.5453
2 N1c N 15.7544 -16.1726
3 C1b C 16.9394 -15.4755
4 S4a S 14.6390 -15.4755
5 C1c C 18.1942 -16.1726
6 C8y C 13.3843 -16.1726
7 C1c C 19.3792 -15.4755
8 C1b C 19.3792 -14.0814
9 N1b N 20.4945 -16.1726
10 C8y C 18.1942 -13.4540
11 C7a C 21.6796 -15.4755
12 C8x C 16.9394 -14.0814
13 C8x C 18.1942 -12.0598
14 O7a O 22.9343 -16.1726
15 O6a O 21.6796 -14.0814
16 C8x C 15.7544 -13.4540
17 C8x C 16.9394 -11.3628
18 C8x C 15.7544 -12.0598
19 C8x C 13.3843 -17.5668
20 C8x C 12.1993 -18.1942
21 C8y C 11.0839 -17.5668
22 C8x C 11.0839 -16.1726
23 C8x C 12.1993 -15.4755
24 C1b C 15.7544 -18.5427
25 O1a O 18.1245 -17.5668
26 O3c O 15.6150 -14.4996
27 O3c O 13.6631 -14.4996
28 C1y C 25.3741 -15.9635
29 C1y C 26.2106 -14.8482
30 O2x O 25.3741 -13.7328
31 C1x C 24.0497 -14.1511
32 C1x C 26.2803 -17.0788
33 C1x C 27.4654 -16.5909
34 O2x O 27.4654 -15.2664
35 N1a N 9.8292 -18.1942
36 C1c C 17.0091 -19.2398
37 C1a C 17.0091 -20.5643
38 C1a C 18.1942 -18.4730
39 C1a C 28.2100 -18.7600
40 C1c C 29.4224 -19.4600
41 C1b C 30.6179 -18.7696
42 O1a O 29.4225 -20.8598
43 O1a O 31.8053 -19.4551
BOND 45
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
42 39 40 1
43 40 41 1
44 40 42 1
45 41 43 1
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