| Entry |
|
|---|
| Name |
Nelfinavir (INN);
Viracept (TN) |
|---|
| Formula |
C32H45N3O4S
|
|---|
| Exact mass |
567.3131
|
|---|
| Mol weight |
567.7824
|
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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
DG01639 CYP2C19 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
|
|---|
| Remark |
| Product (DG00655): | D00899<US> |
|
|---|
| Efficacy |
Antiviral, HIV protease inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]; CYP2C19 [HSA: 1557]
|
|---|
| Interaction |
CYP inhibition: CYP3A4 [HSA: 1576]
|
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| Structure map |
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| Other 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
J05AE04 Nelfinavir
D08259 Nelfinavir (INN)
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00655 Nelfinavir
D08259 Nelfinavir
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG00655 Nelfinavir
D08259 Nelfinavir
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00655 Nelfinavir
D08259 Nelfinavir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00655 Nelfinavir
D08259 Nelfinavir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HIV protease inhibitor
D08259 Nelfinavir (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D08259
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00655 Nelfinavir
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG00655 Nelfinavir
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00655 Nelfinavir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00655 Nelfinavir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Polyprotein cleavage inhibitor
HIV protease inhibitor
DG00655 Nelfinavir
|
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| Other DBs |
|
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| KCF data |
ATOM 40
1 O1a O 16.3100 -18.6200
2 C8y C 17.5000 -19.3200
3 C8y C 18.7600 -18.6200
4 C8y C 19.9500 -19.3200
5 C5a C 21.2100 -18.6200
6 N1b N 22.4000 -19.3200
7 C1c C 23.5900 -18.6200
8 C1c C 24.8500 -19.3200
9 C1b C 26.0400 -18.6200
10 N1y N 27.2300 -19.3200
11 C1y C 28.4900 -18.6200
12 C1x C 29.6800 -19.3200
13 C8x C 17.5000 -20.7200
14 C8x C 18.7600 -21.4200
15 C8x C 19.9500 -20.7200
16 O5a O 21.2100 -17.2200
17 C1b C 23.5900 -17.2200
18 S2a S 24.8500 -16.5200
19 C8y C 24.8500 -15.1200
20 C8x C 26.0400 -14.4200
21 C8x C 26.0400 -13.0200
22 C8x C 24.7800 -12.3200
23 C8x C 23.5900 -13.0200
24 C8x C 23.5900 -14.4200
25 O1a O 24.8500 -20.7200
26 C5a C 28.4900 -17.2200
27 O5a O 27.2300 -16.5200
28 N1b N 29.6800 -16.5200
29 C1d C 30.8700 -17.2200
30 C1a C 32.0600 -17.9200
31 C1a C 31.5700 -16.0300
32 C1a C 30.1700 -18.4800
33 C1x C 27.2300 -20.7200
34 C1y C 28.4900 -21.4200
35 C1y C 29.6800 -20.7200
36 C1x C 28.4900 -22.8200
37 C1x C 29.6800 -23.5200
38 C1x C 30.8700 -22.8200
39 C1x C 30.8700 -21.4200
40 C1a C 18.7600 -17.2200
BOND 43
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 2 13 2
13 13 14 1
14 14 15 2
15 15 4 1
16 5 16 2
17 7 17 1 #Up
18 17 18 1
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 2
25 19 24 1
26 8 25 1 #Up
27 11 26 1 #Down
28 26 27 2
29 26 28 1
30 28 29 1
31 29 30 1
32 29 31 1
33 29 32 1
34 10 33 1
35 33 34 1
36 34 35 1
37 12 35 1
38 34 36 1
39 36 37 1
40 37 38 1
41 38 39 1
42 35 39 1
43 3 40 1
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