| Entry |
|
|---|
| Name |
Ablukast (USAN/INN) |
|---|
| Formula |
C28H34O8
|
|---|
| Exact mass |
498.2254
|
|---|
| Mol weight |
498.5648
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| 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
D02739 Ablukast
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cysteinyl leukotriene
CYSLTR1
D02739 Ablukast (USAN/INN)
Drug groups [BR:br08330]
Anti-allergic agent
DG01541 Cysteinyl leukotriene receptor antagonist
DG01244 Ablukast
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C8x C 24.8447 -20.8528
2 C8y C 24.8447 -22.2522
3 C8y C 26.0566 -22.9520
4 C8y C 27.2686 -22.2522
5 C8y C 27.2686 -20.8528
6 C8x C 26.0566 -20.1531
7 C1a C 22.4208 -22.2522
8 C5a C 23.6328 -22.9520
9 O5a O 23.6328 -24.3514
10 O2a O 28.5056 -20.1531
11 C1b C 29.7176 -20.8528
12 C1b C 30.9295 -20.1531
13 C1b C 32.1414 -20.8528
14 C1b C 33.3535 -20.1531
15 C1b C 34.5654 -20.8528
16 O2a O 35.7773 -20.1531
17 C1a C 34.5654 -22.2522
18 C5a C 35.7773 -22.9520
19 C8y C 36.9893 -22.2522
20 C8y C 36.9893 -20.8528
21 C8x C 38.2012 -22.9520
22 C8y C 39.4132 -22.2522
23 C8y C 39.4132 -20.8528
24 C8x C 38.2012 -20.1531
25 C1x C 40.6251 -22.9520
26 C1x C 41.8370 -22.2522
27 C1y C 41.8370 -20.8528
28 O2x O 40.6251 -20.1531
29 O6a O 44.2609 -20.8528
30 C6a C 43.0490 -20.1531
31 O5a O 35.7773 -24.3514
32 O6a O 43.0490 -18.7537
33 O1a O 26.0566 -24.3520
34 C1b C 28.5124 -22.9600
35 C1b C 29.7249 -22.2600
36 C1a C 30.9373 -22.9600
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 22 23 2
24 23 24 1
25 20 24 2
26 22 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 23 28 1
31 29 30 1
32 27 30 1
33 18 31 2
34 30 32 2
35 3 33 1
36 4 34 1
37 34 35 1
38 35 36 1
|
|---|
