| Entry |
|
|---|
| Name |
Pranlukast hydrate (JP18);
Onon (TN) |
|---|
| Formula |
(C27H23N5O4)2. H2O
|
|---|
| Exact mass |
980.3606
|
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| Mol weight |
981.0205
|
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| Structure |
|
|---|
| Class |
Anti-allergic agent
DG01541 Cysteinyl leukotriene receptor antagonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Therapeutic category: | 4490 |
| Product (DG01065): | D02732<JP> |
|
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| Efficacy |
Antiallergic, Antiasthmatic, Anti-inflammatory, Leukotriene receptor antagonist |
|---|
| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07228 | Eicosanoid receptor agonists/antagonists |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
R RESPIRATORY SYSTEM
R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03D OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
R03DC Leukotriene receptor antagonists
R03DC02 Pranlukast
D02732 Pranlukast hydrate (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
44 Allergic agents
449 Miscellaneous
4490 Miscellaneous
D02732 Pranlukast hydrate (JP18)
Drug groups [BR:br08330]
Anti-allergic agent
DG01541 Cysteinyl leukotriene receptor antagonist
DG01065 Pranlukast
D02732 Pranlukast hydrate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01065 Pranlukast
D02732 Pranlukast hydrate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cysteinyl leukotriene
CYSLTR1
D02732 Pranlukast hydrate (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D02732 Pranlukast hydrate
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02732
Drug groups [BR:br08330]
Anti-allergic agent
DG01541 Cysteinyl leukotriene receptor antagonist
DG01065 Pranlukast
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01065 Pranlukast
|
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| Other DBs |
|
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| KCF data |
ATOM 73
1 C8y C 30.1000 -18.4100
2 C8x C 31.2900 -19.1800
3 C8x C 32.5500 -18.4100
4 C8y C 32.5500 -17.0100
5 C8x C 31.2900 -16.3100
6 C8x C 30.1000 -17.0100
7 C5a C 28.9100 -19.1800
8 N1b N 27.6500 -18.4800
9 O5a O 28.9100 -20.5800
10 C8y C 26.4600 -19.1100
11 C8y C 25.2700 -18.4800
12 C8y C 24.0800 -19.1800
13 C8x C 24.0800 -20.5800
14 C8x C 25.2700 -21.2800
15 C8x C 26.4600 -20.5100
16 O2a O 33.7400 -16.3100
17 C1b C 35.0000 -17.0100
18 C1b C 36.1900 -16.3100
19 C1b C 37.3800 -17.0100
20 C1b C 38.6400 -16.3100
21 C8y C 39.8300 -17.0100
22 C8x C 39.8300 -18.4100
23 C8x C 41.0900 -19.1800
24 C8x C 42.2800 -18.4100
25 C8x C 42.2800 -17.0100
26 C8x C 41.0900 -16.3100
27 O2x O 25.2700 -17.0800
28 C8y C 24.0800 -16.3100
29 C8x C 22.8900 -17.0800
30 C8y C 22.8900 -18.4800
31 C8y C 24.0800 -14.9100
32 N4x N 25.2000 -14.1400
33 N5x N 24.7800 -12.8100
34 N5x N 23.3800 -12.8100
35 N5x N 22.9600 -14.1400
36 O5x O 21.6300 -19.1800
37 O0 O 41.0900 -22.6800
38 C8y C 30.1000 -18.4100
39 C8x C 31.2900 -19.1800
40 C8x C 32.5500 -18.4100
41 C8y C 32.5500 -17.0100
42 C8x C 31.2900 -16.3100
43 C8x C 30.1000 -17.0100
44 O2a O 33.7400 -16.3100
45 C1b C 35.0000 -17.0100
46 C1b C 36.1900 -16.3100
47 C1b C 37.3800 -17.0100
48 C1b C 38.6400 -16.3100
49 C8y C 39.8300 -17.0100
50 C8x C 39.8300 -18.4100
51 C8x C 41.0900 -19.1800
52 C8x C 42.2800 -18.4100
53 C8x C 42.2800 -17.0100
54 C8x C 41.0900 -16.3100
55 C5a C 28.9100 -19.1800
56 N1b N 27.6500 -18.4800
57 C8y C 26.4600 -19.1100
58 C8y C 25.2700 -18.4800
59 C8y C 24.0800 -19.1800
60 C8x C 24.0800 -20.5800
61 C8x C 25.2700 -21.2800
62 C8x C 26.4600 -20.5100
63 C8y C 22.8900 -18.4800
64 C8x C 22.8900 -17.0800
65 C8y C 24.0800 -16.3100
66 O2x O 25.2700 -17.0800
67 C8y C 24.0800 -14.9100
68 N4x N 25.2000 -14.1400
69 N5x N 24.7800 -12.8100
70 N5x N 23.3800 -12.8100
71 N5x N 22.9600 -14.1400
72 O5x O 21.6300 -19.1800
73 O5a O 28.9100 -20.5800
BOND 80
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 7 9 2
10 8 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 4 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 21 26 1
29 11 27 1
30 27 28 1
31 28 29 2
32 29 30 1
33 12 30 1
34 28 31 1
35 31 32 1
36 32 33 1
37 33 34 2
38 34 35 1
39 31 35 2
40 30 36 2
41 38 39 2
42 39 40 1
43 40 41 2
44 41 42 1
45 42 43 2
46 38 43 1
47 38 55 1
48 55 56 1
49 55 73 2
50 56 57 1
51 57 58 2
52 58 59 1
53 59 60 2
54 60 61 1
55 61 62 2
56 57 62 1
57 41 44 1
58 44 45 1
59 45 46 1
60 46 47 1
61 47 48 1
62 48 49 1
63 49 50 2
64 50 51 1
65 51 52 2
66 52 53 1
67 53 54 2
68 49 54 1
69 58 66 1
70 66 65 1
71 65 64 2
72 64 63 1
73 59 63 1
74 65 67 1
75 67 68 1
76 68 69 1
77 69 70 2
78 70 71 1
79 67 71 2
80 63 72 2
BRACKET 1 21.2800 -21.6300 21.2800 -12.4600
1 42.7000 -12.4600 42.7000 -21.6300
1 2
ORIGINAL 1 1 2 3 4 5 6 16 17 18 19 20 21 22 23 24 25
1 26 7 8 10 11 12 13 14 15 30 29 28 27 31 32 33
1 34 35 36 9
REPEAT 1 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53
1 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69
1 70 71 72 73
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