| Entry |
|
|---|
| Name |
Fiboflapon (USAN) |
|---|
| Formula |
C38H43N3O4S
|
|---|
| Exact mass |
637.2974
|
|---|
| Mol weight |
637.83
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-inflammatory, Leukotriene synthesis inhibitor |
|---|
| Comment |
Treatment of asthma and COPD
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04664 | Fc epsilon RI signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Organismal systems
Immune system
ALOX5AP
D10069 Fiboflapon (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 46
1 C8y C 28.2100 -24.7100
2 C8x C 28.2100 -26.1100
3 C8x C 29.4000 -26.8100
4 C8y C 30.6600 -26.1100
5 C8y C 30.6600 -24.7100
6 C8x C 29.4000 -24.0100
7 N4y N 31.9900 -26.5300
8 C8y C 32.7600 -25.4100
9 C8y C 31.9900 -24.2900
10 O2a O 27.0200 -24.0100
11 C1b C 25.8300 -24.7100
12 C8y C 24.6400 -24.0100
13 C8x C 24.6400 -22.6100
14 C8x C 23.3800 -21.9100
15 C8y C 22.1900 -22.6100
16 C8x C 22.1900 -24.0100
17 N5x N 23.3800 -24.7100
18 C1a C 21.0000 -21.9100
19 C1b C 31.9900 -27.9300
20 S2a S 31.9900 -22.8900
21 C1b C 34.1600 -25.4100
22 C8y C 33.2024 -28.6300
23 C8x C 33.2024 -30.0298
24 C8x C 34.4149 -30.7298
25 C8y C 35.6273 -30.0298
26 C8x C 35.6273 -28.6300
27 C8x C 34.4149 -27.9300
28 C8y C 36.8418 -30.7310
29 C8x C 36.8418 -32.1298
30 N5x N 38.0542 -32.8299
31 C8y C 39.2667 -32.1299
32 C8x C 39.2667 -30.7311
33 C8x C 38.0543 -30.0311
34 O2a O 40.4816 -32.8314
35 C1b C 41.6783 -32.1403
36 C1a C 42.8651 -32.8254
37 C1d C 30.7776 -22.1900
38 C1a C 29.5821 -22.8804
39 C1a C 30.7775 -20.7902
40 C1a C 29.5820 -21.4997
41 C1d C 34.8600 -24.1976
42 C6a C 36.2598 -24.1976
43 C1a C 34.1696 -23.0021
44 C1a C 35.5503 -23.0020
45 O6a O 36.9503 -23.0020
46 O6a O 36.9696 -25.4268
BOND 50
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 2
10 5 9 1
11 1 10 1
12 10 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 15 18 1
21 7 19 1
22 9 20 1
23 8 21 1
24 19 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 22 27 1
31 25 28 1
32 28 29 2
33 29 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 28 33 1
38 31 34 1
39 34 35 1
40 35 36 1
41 20 37 1
42 37 38 1
43 37 39 1
44 37 40 1
45 21 41 1
46 41 42 1
47 41 43 1
48 41 44 1
49 42 45 1
50 42 46 2
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