| Entry |
|
|---|
| Name |
Saquinavir mesylate (USP);
Saquinavir mesilate (JAN);
Invirase (TN) |
|---|
| Product |
|
|---|
| Formula |
C38H50N6O5. CH4SO3
|
|---|
| Exact mass |
766.3724
|
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| Mol weight |
766.9465
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
|
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| Remark |
| Product (DG00653): | D01160<US> |
|
|---|
| Efficacy |
Antiviral, HIV protease inhibitor |
|---|
| Disease |
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
|
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| Interaction |
|
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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
J05AE Protease inhibitors
J05AE01 Saquinavir
D01160 Saquinavir mesylate (USP) <US>
USP drug classification [BR:br08302]
Antivirals
Anti-HIV Agents, Protease Inhibitors (PI)
Saquinavir
D01160 Saquinavir mesylate (USP)
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00653 Saquinavir
D01160 Saquinavir mesylate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00653 Saquinavir
D01160 Saquinavir mesylate
Transporter substrate
DG01665 ABCB1 substrate
DG00653 Saquinavir
D01160 Saquinavir mesylate
Drug classes [BR:br08332]
Antiviral
DG03107 Anti-HIV agent
D01160 Saquinavir mesylate
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HIV protease inhibitor
D01160 Saquinavir mesylate (USP) <US>
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D01160
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D01160
Drug transporters
D01160
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00653 Saquinavir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00653 Saquinavir
Transporter substrate
DG01665 ABCB1 substrate
DG00653 Saquinavir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Polyprotein cleavage inhibitor
HIV protease inhibitor
DG00653 Saquinavir
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 54
1 S4a S 35.2171 -19.8824
2 C1a C 33.8229 -19.8650
3 O1d O 36.6116 -19.8767
4 O1d O 35.2171 -18.4765
5 O1d O 35.2114 -21.2826
6 N1y N 27.3631 -17.7501
7 C1y C 28.5708 -17.0476
8 C1x C 27.3573 -19.1438
9 C1b C 26.1552 -17.0476
10 C1x C 29.7728 -17.7501
11 C5a C 28.5708 -15.6539
12 C1y C 28.5650 -19.8289
13 C1c C 24.9475 -17.7443
14 C1y C 29.7728 -19.1438
15 N1b N 29.7786 -14.9630
16 O5a O 27.3747 -14.9571
17 C1x C 28.5592 -21.2168
18 C1c C 23.7396 -17.0418
19 O1a O 24.9416 -19.1380
20 C1x C 30.9689 -19.8405
21 C1d C 30.9865 -15.6598
22 C1x C 29.7612 -21.9252
23 C1b C 23.7455 -15.6423
24 N1b N 22.5319 -17.7328
25 C1x C 30.9573 -21.2342
26 C8y C 24.9532 -14.9398
27 C5a C 21.3356 -17.0359
28 C8x C 26.1611 -14.2429
29 C8x C 23.7396 -14.2546
30 C1c C 20.1279 -17.7211
31 O5a O 21.3356 -15.6366
32 C8x C 26.1552 -12.8436
33 C8x C 23.7339 -12.8551
34 N1b N 18.9202 -17.0243
35 C1b C 20.1221 -19.4632
36 C8x C 24.9359 -12.1468
37 C5a C 17.7123 -17.7154
38 C5a C 21.3299 -20.1716
39 C8y C 16.5103 -17.0243
40 O5a O 17.7123 -19.1088
41 N1a N 21.3299 -21.5653
42 O5a O 22.5376 -19.4805
43 N5x N 15.2967 -17.7095
44 C8x C 16.5162 -15.6250
45 C8y C 14.0887 -17.0127
46 C8x C 15.3083 -14.9223
47 C8y C 14.1005 -15.6133
48 C8x C 12.8927 -17.7095
49 C8x C 12.8927 -14.9165
50 C8x C 11.6850 -17.0127
51 C8x C 11.6850 -15.6133
52 C1a C 32.1934 -16.3566
53 C1a C 31.6771 -14.4632
54 C1a C 30.2838 -16.8771
BOND 57
1 1 2 1
2 1 3 1
3 1 4 2
4 1 5 2
5 6 7 1
6 6 8 1
7 6 9 1
8 7 10 1
9 7 11 1 #Down
10 8 12 1
11 9 13 1
12 10 14 1
13 11 15 1
14 11 16 2
15 12 17 1
16 13 18 1
17 13 19 1 #Up
18 14 20 1
19 15 21 1
20 17 22 1
21 18 23 1 #Up
22 18 24 1
23 20 25 1
24 23 26 1
25 24 27 1
26 26 28 2
27 26 29 1
28 27 30 1
29 27 31 2
30 28 32 1
31 29 33 2
32 30 34 1
33 30 35 1 #Down
34 32 36 2
35 34 37 1
36 35 38 1
37 37 39 1
38 37 40 2
39 38 41 1
40 38 42 2
41 39 43 2
42 39 44 1
43 43 45 1
44 44 46 2
45 45 47 1
46 45 48 2
47 47 49 2
48 48 50 1
49 49 51 1
50 12 14 1
51 22 25 1
52 33 36 1
53 46 47 1
54 50 51 2
55 21 52 1
56 21 53 1
57 21 54 1
|
|---|
