| Entry |
|
|---|
| Name |
Fiboflapon sodium (USAN) |
|---|
| Formula |
C38H42N3O4S. Na
|
|---|
| Exact mass |
659.2794
|
|---|
| Mol weight |
659.81
|
|---|
| 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
D10122 Fiboflapon sodium (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 47
1 C8y C 20.7900 -19.0400
2 C8x C 20.7900 -20.4400
3 C8x C 21.9800 -21.1400
4 C8y C 23.2400 -20.4400
5 C8y C 23.2400 -19.0400
6 C8x C 21.9800 -18.3400
7 N4y N 24.5700 -20.8600
8 C8y C 25.3400 -19.7400
9 C8y C 24.5700 -18.6200
10 O2a O 19.6000 -18.3400
11 C1b C 18.4100 -19.0400
12 C8y C 17.2200 -18.3400
13 C8x C 17.2200 -16.9400
14 C8x C 15.9600 -16.2400
15 C8y C 14.7700 -16.9400
16 C8x C 14.7700 -18.3400
17 N5x N 15.9600 -19.0400
18 C1a C 13.5800 -16.2400
19 C1b C 24.5700 -22.2600
20 S2a S 24.5700 -17.2200
21 C1b C 26.7400 -19.7400
22 C8y C 25.8300 -22.9600
23 C8x C 25.8300 -24.3600
24 C8x C 27.0200 -25.0600
25 C8y C 28.2100 -24.3600
26 C8x C 28.2100 -22.9600
27 C8x C 27.0200 -22.2600
28 C8y C 29.4700 -25.0600
29 C8x C 29.4700 -26.4600
30 N5x N 30.6600 -27.1600
31 C8y C 31.9200 -26.4600
32 C8x C 31.9200 -25.0600
33 C8x C 30.6600 -24.3600
34 O2a O 33.1100 -27.1600
35 C1b C 34.3000 -26.4600
36 C1a C 35.4900 -27.1600
37 C1d C 23.3800 -16.5200
38 C1a C 22.1900 -17.2200
39 C1a C 23.3800 -15.1200
40 C1a C 22.1900 -15.8200
41 C1d C 27.4400 -18.5500
42 C6a C 28.9100 -18.5500
43 C1a C 26.8100 -17.3600
44 C1a C 28.1400 -17.3600
45 O6a O 29.5400 -17.3600 #-
46 O6a O 29.6100 -19.7400
47 Z Na 33.5300 -17.3600 #+
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
|
|---|
