| Entry |
|
|---|
| Name |
Lifitegrast (USAN/INN);
Xiidra (TN)
|
|---|
| Product |
|
|---|
| Formula |
C29H24Cl2N2O7S
|
|---|
| Exact mass |
614.0681
|
|---|
| Mol weight |
615.4811
|
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| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
| Product (DG01389): | D10374<US> |
|
|---|
| Efficacy |
Anti-inflammatory, Lymphocyte function-associated antigen-1 antagonist |
|---|
| Disease |
|
|---|
| Comment |
Treatment of ocular inflammatory diseases
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04650 | Natural killer cell mediated cytotoxicity |
| hsa04670 | Leukocyte transendothelial migration |
| hsa04810 | Regulation of actin cytoskeleton |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01X OTHER OPHTHALMOLOGICALS
S01XA Other ophthalmologicals
S01XA25 Lifitegrast
D10374 Lifitegrast (USAN/INN) <US>
USP drug classification [BR:br08302]
Ophthalmic Agents
Ophthalmic Agents, Other
Lifitegrast
D10374 Lifitegrast (USAN/INN)
Target-based classification of drugs [BR:br08310]
Cell surface molecules and ligands
Cell adhesion molecules: other families
Integrins
ITGAL (CD11A)
D10374 Lifitegrast (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D10374
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D10374
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 41
1 C8y C 28.4900 -33.1100
2 C8y C 28.4900 -31.7100
3 C8x C 27.3000 -31.0100
4 C8y C 26.1100 -31.7100
5 C8x C 26.1100 -33.1100
6 C8x C 27.3000 -33.8100
7 C8x C 29.8200 -33.5300
8 C8x C 30.6600 -32.4100
9 O2x O 29.8200 -31.2900
10 C5a C 24.8500 -31.0100
11 N1y N 23.6600 -31.7100
12 C1x C 22.4700 -31.0100
13 C8y C 21.2100 -31.7100
14 C8y C 21.2100 -33.1100
15 C1x C 22.4000 -33.8100
16 C1x C 23.6600 -33.1100
17 C8x C 20.0200 -31.0100
18 C8y C 18.8300 -31.7100
19 C8y C 18.8300 -33.1100
20 C8y C 20.0200 -33.8100
21 C5a C 17.5700 -33.8100
22 N1b N 16.3800 -33.1100
23 C1c C 15.1900 -33.8100
24 O5a O 24.8500 -29.6100
25 X Cl 20.0200 -35.2100
26 X Cl 17.5700 -31.0100
27 O5a O 17.5700 -35.2100
28 C1b C 14.0000 -33.1100
29 C6a C 15.1900 -35.2100
30 O6a O 16.3800 -35.9100
31 O6a O 14.0000 -35.9100
32 C8y C 12.8100 -33.8100
33 C8x C 11.6200 -33.1100
34 C8x C 10.3600 -33.8100
35 C8x C 10.3600 -35.2100
36 C8y C 11.6200 -35.9100
37 C8x C 12.8100 -35.2100
38 S4a S 11.6200 -37.3100
39 O3c O 10.2200 -37.3100
40 O3c O 13.0200 -37.3100
41 C1a C 11.6200 -38.7100
BOND 45
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 1 7 1
8 7 8 2
9 8 9 1
10 2 9 1
11 4 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 11 16 1
19 13 17 2
20 17 18 1
21 18 19 2
22 19 20 1
23 14 20 2
24 19 21 1
25 21 22 1
26 22 23 1
27 10 24 2
28 20 25 1
29 18 26 1
30 21 27 2
31 23 28 1
32 23 29 1 #Down
33 29 30 1
34 29 31 2
35 28 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 35 36 1
40 36 37 2
41 32 37 1
42 36 38 1
43 38 39 2
44 38 40 2
45 38 41 1
|
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