| Entry |
|
|---|
| Name |
Tomelukast (USAN/INN) |
|---|
| Formula |
C16H22N4O3
|
|---|
| Exact mass |
318.1692
|
|---|
| Mol weight |
318.37
|
|---|
| Structure |
|
|---|
| Class |
Anti-allergic agent
DG01541 Cysteinyl leukotriene receptor antagonist
|
|---|
| 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
D02851 Tomelukast
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cysteinyl leukotriene
CYSLTR1
D02851 Tomelukast (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C8y C 26.9500 -17.4300
2 C8x C 26.9500 -16.0300
3 C8x C 28.1400 -15.3300
4 C8y C 29.3300 -16.0300
5 C8y C 29.3300 -17.4300
6 C8y C 28.1400 -18.1300
7 O2a O 30.5900 -15.3300
8 C1b C 31.7800 -16.0300
9 C1b C 32.9700 -15.3300
10 C1b C 34.2300 -16.0300
11 C1b C 35.4200 -15.3300
12 C8y C 36.6100 -16.0300
13 N4x N 37.9400 -15.6100
14 N5x N 38.7800 -16.8000
15 N5x N 37.9400 -17.9200
16 N5x N 36.6100 -17.4300
17 C1b C 30.5900 -18.1300
18 C1b C 31.7800 -17.4300
19 C1a C 32.9700 -18.1300
20 O1a O 28.1400 -19.5300
21 C5a C 25.6900 -18.1300
22 C1a C 24.5000 -17.4300
23 O5a O 25.6900 -19.5300
BOND 24
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 12 16 2
18 5 17 1
19 17 18 1
20 18 19 1
21 6 20 1
22 1 21 1
23 21 22 1
24 21 23 2
|
|---|
