| Entry |
|
|---|
| Name |
Verlukast (USAN/INN) |
|---|
| Formula |
C26H27ClN2O3S2
|
|---|
| Exact mass |
514.1152
|
|---|
| Mol weight |
515.09
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| 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
D02384 Verlukast
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cysteinyl leukotriene
CYSLTR1
D02384 Verlukast (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C8x C 15.7700 -18.6843
2 C8y C 15.7700 -20.0786
3 C8x C 16.9744 -20.7793
4 C8x C 16.9744 -17.9906
5 X Cl 14.5620 -20.7798
6 C8y C 18.1786 -18.6843
7 C8y C 18.2194 -20.0786
8 N5x N 19.3780 -20.7844
9 C8y C 20.5894 -20.0888
10 C8x C 20.5955 -18.6945
11 C8x C 19.3899 -17.9959
12 C2b C 21.7948 -20.7946
13 C2b C 23.0062 -20.0991
14 C8y C 24.2117 -20.8049
15 C8x C 24.1990 -22.1939
16 C8x C 25.4046 -22.8927
17 C8x C 26.6088 -22.2041
18 C8y C 26.6147 -20.8101
19 C8x C 25.4165 -20.1044
20 C1c C 27.8260 -20.1146
21 S2a S 29.0314 -20.8203
22 C1b C 30.2428 -20.1249
23 C1b C 31.4482 -20.8306
24 C5a C 32.6596 -20.1351
25 N1c N 33.8649 -20.8408
26 C1a C 35.1691 -20.0525
27 C1a C 33.8590 -22.3280
28 O5a O 32.6655 -18.7407
29 S2a S 27.8949 -18.7226
30 C1b C 29.0933 -18.0115
31 C1b C 29.1503 -16.6245
32 C6a C 30.3486 -15.9136
33 O6a O 30.4089 -14.5203
34 O6a O 31.5623 -16.5992
BOND 36
1 6 7 2
2 14 15 1
3 15 16 2
4 16 17 1
5 17 18 2
6 18 19 1
7 19 14 2
8 7 8 1
9 18 20 1
10 8 9 2
11 20 21 1
12 9 10 1
13 21 22 1
14 10 11 2
15 22 23 1
16 11 6 1
17 23 24 1
18 2 5 1
19 24 25 1
20 9 12 1
21 25 26 1
22 1 2 1
23 25 27 1
24 12 13 2
25 24 28 2
26 2 3 2
27 13 14 1
28 3 7 1
29 6 4 1
30 4 1 2
31 29 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 32 34 2
36 20 29 1 #Up
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