| Entry |
|
|---|
| Name |
Ablukast sodium (USAN);
Ulpax (TN) |
|---|
| Formula |
C28H33O8. Na
|
|---|
| Exact mass |
520.2073
|
|---|
| Mol weight |
520.5466
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Anti-allergic agent
DG01541 Cysteinyl leukotriene receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiasthmatic, Leukotriene receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Anti-allergic agent
DG01541 Cysteinyl leukotriene receptor antagonist
DG01244 Ablukast
D02741 Ablukast sodium
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cysteinyl leukotriene
CYSLTR1
D02741 Ablukast sodium (USAN)
Drug groups [BR:br08330]
Anti-allergic agent
DG01541 Cysteinyl leukotriene receptor antagonist
DG01244 Ablukast
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 37
1 C8x C 15.4487 -15.7324
2 C8y C 15.4487 -17.1312
3 C8y C 16.6377 -17.8306
4 C8y C 17.8267 -17.1312
5 C8y C 17.8267 -15.7324
6 C8x C 16.6377 -15.0330
7 C1a C 13.0008 -17.1312
8 C5a C 14.1898 -17.8306
9 O5a O 14.1898 -19.2294
10 O2a O 19.0856 -15.0330
11 C1b C 20.2746 -15.7324
12 C1b C 21.5335 -15.0330
13 C1b C 22.7225 -15.7324
14 C1b C 23.9115 -15.0330
15 C1b C 25.1005 -15.7324
16 O2a O 26.3594 -15.0330
17 C1a C 25.1005 -17.1312
18 C5a C 26.3594 -17.8306
19 C8y C 27.5484 -17.1312
20 C8y C 27.5484 -15.7324
21 C8x C 28.7373 -17.8306
22 C8y C 29.9963 -17.1312
23 C8y C 29.9963 -15.7324
24 C8x C 28.7373 -15.0330
25 C1x C 31.1852 -17.8306
26 C1x C 32.3742 -17.1312
27 C1y C 32.3742 -15.7324
28 O2x O 31.1852 -15.0330
29 O6a O 34.8221 -15.7324 #-
30 C6a C 33.6331 -15.0330
31 O5a O 26.3594 -19.2294
32 O6a O 33.6331 -13.6342
33 O1a O 16.6377 -19.2294
34 C1b C 19.0856 -17.8306
35 C1b C 20.2746 -17.1312
36 C1a C 21.5335 -17.8306
37 Z Na 36.6131 -18.4274 #+
BOND 38
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 7 8 1
8 2 8 1
9 8 9 2
10 5 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 16 1
21 19 21 2
22 21 22 1
23 23 24 1
24 20 24 2
25 25 26 1
26 26 27 1
27 27 28 1
28 23 28 1
29 29 30 1
30 27 30 1
31 18 31 2
32 30 32 2
33 3 33 1
34 4 34 1
35 34 35 1
36 35 36 1
37 23 22 2
38 22 25 1
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