| Entry |
|
|---|
| Name |
Ticolubant (USAN/INN) |
|---|
| Formula |
C23H19Cl2NO3S
|
|---|
| Exact mass |
459.0463
|
|---|
| Mol weight |
460.37
|
|---|
| Structure |
|
|---|
| Class |
Anti-allergic agent
DG01541 Cysteinyl leukotriene receptor antagonist
|
|---|
| Efficacy |
Antipsoriatic, Leukotriene B4 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Anti-allergic agent
DG01541 Cysteinyl leukotriene receptor antagonist
D06140 Ticolubant
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Leukotriene
LTB4R
D06140 Ticolubant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8x C 9.1700 -15.4700
2 C8y C 9.1700 -16.8700
3 N5x N 10.3824 -17.5700
4 C8y C 11.5949 -16.8700
5 C8y C 11.5949 -15.4700
6 C8x C 10.3824 -14.7700
7 O2a O 12.8260 -14.7590
8 C2b C 12.8260 -17.5810
9 C1b C 7.9576 -17.5700
10 S2a S 6.7621 -16.8796
11 C8y C 5.5747 -17.5651
12 C8y C 4.3835 -16.8771
13 C8x C 3.1710 -17.5769
14 C8x C 3.1708 -18.9769
15 C8x C 4.3620 -19.6649
16 C8y C 5.5745 -18.9651
17 X Cl 4.3835 -15.4702
18 X Cl 6.8080 -19.6776
19 C1b C 14.0312 -15.4547
20 C1b C 15.2135 -14.7719
21 C2b C 14.0312 -16.8853
22 C6a C 15.2135 -17.5681
23 C8y C 15.2135 -13.3702
24 C8x C 16.4082 -12.6802
25 C8x C 16.4080 -11.2802
26 C8x C 15.1955 -10.5803
27 C8x C 14.0007 -11.2704
28 C8x C 14.0009 -12.6704
29 O6a O 16.4075 -16.8788
30 O6a O 15.2135 -18.9698
BOND 32
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 5 7 1
8 4 8 1
9 2 9 1
10 9 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 12 17 1
19 16 18 1
20 7 19 1
21 19 20 1
22 8 21 2
23 21 22 1
24 20 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 23 28 1
31 22 29 1
32 22 30 2
|
|---|
