| Entry |
|
|---|
| Name |
Setileuton (USAN/INN) |
|---|
| Formula |
C22H17F4N3O4
|
|---|
| Exact mass |
463.1155
|
|---|
| Mol weight |
463.3817
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiasthmatic, Arachidonate 5-lipoxygenase inhibitor |
|---|
| Comment |
Treatment of asthma
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dioxygenases
ALOX5
D09667 Setileuton (USAN/INN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8y C 18.9973 -26.2366
2 C8x C 18.9973 -27.6396
3 C8y C 20.1899 -28.3412
4 O7x O 21.4527 -27.6396
5 C8y C 21.4527 -26.2366
6 C8y C 20.1899 -25.5350
7 C8x C 22.6453 -25.5350
8 C8y C 22.6453 -24.1319
9 C8x C 21.4527 -23.4304
10 C8x C 20.1899 -24.1319
11 C1b C 23.8379 -23.4304
12 N1b N 25.0305 -24.1319
13 C8y C 26.2231 -23.4304
14 N5x N 28.0472 -22.0975
15 N5x N 26.6441 -22.0975
16 O2x O 27.3456 -24.2722
17 C8y C 28.4681 -23.4304
18 C1d C 29.6607 -24.1319
19 C1d C 30.8533 -23.4304
20 O6a O 20.1899 -29.7443
21 C8y C 17.8047 -25.5350
22 C8x C 17.8047 -24.1319
23 C8x C 16.5419 -23.4304
24 C8y C 15.3493 -24.1319
25 C8x C 15.3493 -25.5350
26 C8x C 16.5419 -26.2366
27 X F 14.1566 -23.4304
28 C1b C 28.9592 -25.3246
29 X F 32.0459 -24.1319
30 O1a O 30.3622 -25.3470
31 C1a C 29.6508 -26.5453
32 X F 30.8536 -22.0501
33 X F 32.0657 -22.7304
BOND 36
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 6 10 2
12 8 11 1
13 11 12 1
14 12 13 1
15 14 15 1
16 15 13 2
17 13 16 1
18 16 17 1
19 14 17 2
20 17 18 1
21 18 19 1
22 3 20 2
23 1 21 1
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 21 26 2
30 24 27 1
31 18 28 1 #Down
32 19 29 1
33 18 30 1 #Up
34 28 31 1
35 19 32 1
36 19 33 1
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