| Entry |
|
|---|
| Name |
Indinavir (USAN);
Indinavir hydrate |
|---|
| Formula |
C36H47N5O4. H2O
|
|---|
| Exact mass |
631.3734
|
|---|
| Mol weight |
631.80
|
|---|
| 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 |
|
|---|
| Efficacy |
Antiviral, HIV protease inhibitor |
|---|
| Target |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
CYP inhibition: CYP3A4 [HSA: 1576]
|
|---|
| 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
J05AE02 Indinavir
D03833 Indinavir (USAN)
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00654 Indinavir
D03833 Indinavir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00654 Indinavir
D03833 Indinavir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00654 Indinavir
D03833 Indinavir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HIV protease inhibitor
D03833 Indinavir (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D03833
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00654 Indinavir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00654 Indinavir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00654 Indinavir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Polyprotein cleavage inhibitor
HIV protease inhibitor
DG00654 Indinavir
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 46
1 C8y C 15.6800 -19.3200
2 C1y C 16.7300 -18.4100
3 C8y C 14.4200 -18.6200
4 C8x C 15.6800 -20.7200
5 C1y C 16.1700 -17.0800
6 N1b N 17.9200 -19.1100
7 C1x C 14.7700 -17.2200
8 C8x C 13.2300 -19.3200
9 C8x C 14.4200 -21.4200
10 O1a O 16.8700 -15.8900
11 C5a C 19.2500 -18.3400
12 C8x C 13.2300 -20.7200
13 C1c C 20.4400 -19.0400
14 O5a O 19.2500 -16.9400
15 C1b C 20.4400 -20.4400
16 C1b C 21.6300 -18.3400
17 C8y C 19.2500 -21.1400
18 C1c C 22.9600 -19.0400
19 C8x C 19.2500 -22.5400
20 C8x C 18.0600 -20.4400
21 C1b C 24.1500 -18.3400
22 O1a O 22.9600 -20.4400
23 C8x C 17.9900 -23.2400
24 C8x C 16.8000 -21.1400
25 N1y N 25.3400 -19.0400
26 C8x C 16.8000 -22.5400
27 C1y C 26.6000 -18.3400
28 C1x C 25.3400 -20.4400
29 C1x C 27.7900 -19.0400
30 C5a C 26.6000 -16.9400
31 C1x C 26.6000 -21.1400
32 N1y N 27.7900 -20.4400
33 N1b N 27.7900 -16.2400
34 O5a O 25.3400 -16.2400
35 C1b C 28.9800 -21.1400
36 C1d C 28.9800 -16.9400
37 C8y C 30.2400 -20.4400
38 C1a C 30.3100 -17.7100
39 C1a C 28.4200 -17.8500
40 C1a C 29.6800 -15.8200
41 C8x C 30.2400 -19.0400
42 C8x C 31.4300 -21.1400
43 C8x C 31.4300 -18.3400
44 N5x N 32.6200 -20.4400
45 C8x C 32.6200 -19.0400
46 O0 O 37.1000 -19.1100
BOND 49
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1 #Up
10 6 11 1
11 8 12 2
12 11 13 1
13 11 14 2
14 13 15 1 #Up
15 13 16 1
16 15 17 1
17 16 18 1
18 17 19 2
19 17 20 1
20 18 21 1
21 18 22 1 #Up
22 19 23 1
23 20 24 2
24 21 25 1
25 23 26 2
26 25 27 1
27 25 28 1
28 27 29 1
29 27 30 1 #Down
30 28 31 1
31 29 32 1
32 30 33 1
33 30 34 2
34 32 35 1
35 33 36 1
36 35 37 1
37 36 38 1
38 36 39 1
39 36 40 1
40 37 41 1
41 37 42 2
42 41 43 2
43 42 44 1
44 43 45 1
45 5 7 1
46 9 12 1
47 24 26 1
48 31 32 1
49 44 45 2
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