| Entry |
|
|---|
| Name |
Cinalukast (USAN/INN) |
|---|
| Formula |
C23H28N2O3S
|
|---|
| Exact mass |
412.1821
|
|---|
| Mol weight |
412.545
|
|---|
| 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
D02846 Cinalukast
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cysteinyl leukotriene
CYSLTR1
D02846 Cinalukast (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8x C 24.7100 -15.0500
2 C8y C 24.7100 -16.4500
3 C8x C 25.9000 -17.1500
4 C8y C 27.1600 -16.4500
5 C8x C 27.1600 -15.0500
6 C8x C 25.9000 -14.3500
7 N1b N 28.3500 -17.1500
8 C5a C 29.6100 -16.4500
9 C1b C 30.8000 -17.1500
10 C1d C 31.9900 -16.4500
11 C6a C 33.2500 -17.1500
12 O6a O 34.4400 -16.4500
13 C2b C 23.5200 -17.1500
14 C2b C 22.2600 -16.4500
15 C8y C 21.0700 -17.1500
16 O5a O 29.6100 -15.0500
17 O6a O 33.2500 -18.5500
18 C1b C 33.2500 -15.7500
19 C1a C 33.2500 -14.3500
20 C1b C 30.8000 -15.7500
21 C1a C 30.8000 -14.3500
22 C8x C 19.2500 -18.4800
23 S2x S 20.6500 -18.4800
24 N5x N 19.9500 -16.3100
25 C8y C 18.8300 -17.1500
26 C1y C 17.4970 -16.7220
27 C1x C 16.8610 -15.4843
28 C1x C 15.6234 -16.1203
29 C1x C 16.2594 -17.3580
BOND 31
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 2 13 1
14 13 14 2
15 14 15 1
16 8 16 2
17 11 17 2
18 10 18 1
19 18 19 1
20 10 20 1
21 20 21 1
22 22 23 1
23 23 15 1
24 15 24 2
25 24 25 1
26 22 25 2
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 26 29 1
|
|---|
