| Entry |
|
|---|
| Name |
Indinavir sulfate ethanolate (JAN);
Crixivan (TN) |
|---|
| Formula |
C36H47N5O4. H2SO4. C2H6O
|
|---|
| Exact mass |
757.372
|
|---|
| Mol weight |
757.9364
|
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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
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
|
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| Remark |
|
|---|
| Efficacy |
Antiviral, HIV protease inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
CYP inhibition: CYP3A4 [HSA: 1576]
|
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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
J05AE02 Indinavir
D02861 Indinavir sulfate ethanolate (JAN)
Drug groups [BR:br08330]
Antiviral
DG03107 Anti-HIV agent
DG01647 HIV protease inhibitor
DG00654 Indinavir
D02861 Indinavir sulfate ethanolate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00654 Indinavir
D02861 Indinavir sulfate ethanolate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00654 Indinavir
D02861 Indinavir sulfate ethanolate
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HIV protease inhibitor
D02861 Indinavir sulfate ethanolate (JAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02861
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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| KCF data |
ATOM 53
1 C8y C 17.8500 -17.7100
2 C1y C 18.9000 -16.7300
3 C8y C 16.6600 -17.0100
4 C8x C 17.8500 -19.1100
5 C1y C 18.3400 -15.4000
6 N1b N 20.0900 -17.5000
7 C1x C 16.9400 -15.5400
8 C8x C 15.4700 -17.7100
9 C8x C 16.6600 -19.8100
10 O1a O 19.0400 -14.2100
11 C5a C 21.4200 -16.7300
12 C8x C 15.4700 -19.1100
13 C1c C 22.6100 -17.4300
14 O5a O 21.4200 -15.2600
15 C1b C 22.6100 -18.8300
16 C1b C 23.8700 -16.7300
17 C8y C 21.4200 -19.5300
18 C1c C 25.0600 -17.4300
19 C8x C 21.4200 -20.9300
20 C8x C 20.2300 -18.8300
21 C1b C 26.2500 -16.7300
22 O1a O 25.0600 -18.8300
23 C8x C 20.2300 -21.6300
24 C8x C 19.0400 -19.5300
25 N1y N 27.5100 -17.4300
26 C8x C 19.0400 -20.9300
27 C1y C 28.7000 -16.7300
28 C1x C 27.5100 -18.8300
29 C1x C 29.8900 -17.4300
30 C5a C 28.7000 -15.2600
31 C1x C 28.7000 -19.5300
32 N1y N 29.8900 -18.8300
33 N1b N 29.8900 -14.5600
34 O5a O 27.5100 -14.5600
35 C1b C 31.1500 -19.5300
36 C1d C 31.1500 -15.2600
37 C8y C 32.3400 -18.8300
38 C1a C 32.4100 -16.0300
39 C1a C 30.5200 -16.2400
40 C1a C 31.7800 -14.0700
41 C8x C 32.3400 -17.4300
42 C8x C 33.5300 -19.5300
43 C8x C 33.5300 -16.7300
44 N5x N 34.7900 -18.8300
45 C8x C 34.7900 -17.4300
46 S4a S 24.2900 -22.8900
47 O1d O 22.8900 -22.8900
48 O1d O 25.6900 -22.8900
49 O1d O 24.2900 -21.4900
50 O1d O 24.2900 -24.2900
51 C1a C 17.0100 -22.8900
52 C1b C 18.2700 -22.1900
53 O1a O 19.4600 -22.8900
BOND 55
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
50 46 47 1
51 46 48 1
52 46 49 2
53 46 50 2
54 51 52 1
55 52 53 1
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