Entry |
|
Name |
Quiflapon sodium (USAN) |
Formula |
C34H34ClN2O3S. Na
|
Exact mass |
608.1876
|
Mol weight |
609.1531
|
Structure |
|
Efficacy |
Antiasthmatic, Anti-inflammatory, Leukotriene synthesis inhibitor |
Comment |
Suppressant (inflammatory bowel disease)
|
Target |
|
Pathway |
hsa04664 | Fc epsilon RI signaling pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Organismal systems
Immune system
ALOX5AP
D05671 Quiflapon sodium (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 42
1 C8x C 22.4187 -15.8519
2 C8x C 22.4187 -14.4500
3 C8x C 23.6103 -13.7491
4 C8y C 24.8720 -14.4500
5 C8y C 24.8720 -15.8519
6 C8x C 23.6103 -16.5528
7 C8x C 26.0635 -13.7491
8 C8x C 27.2551 -14.4500
9 C8y C 27.2551 -15.8519
10 N5x N 26.0635 -16.5528
11 C1b C 28.4467 -16.5528
12 O2a O 29.6665 -15.8618
13 C8y C 30.8495 -16.5578
14 C8x C 30.8379 -17.9547
15 C8x C 32.0462 -18.6657
16 C8y C 33.2660 -17.9747
17 C8y C 33.2775 -16.5779
18 C8x C 32.0693 -15.8669
19 N4y N 34.5910 -18.4173
20 C8y C 35.4214 -17.2940
21 C8y C 34.6096 -16.1572
22 S2a S 35.0619 -14.8035
23 C1b C 36.8579 -17.3051
24 C1d C 34.1196 -13.7392
25 C1a C 33.1985 -12.6778
26 C1a C 33.0632 -14.6652
27 C1a C 35.1715 -12.8171
28 C1d C 37.5601 -16.1104
29 C6a C 38.2611 -14.8964
30 O6a O 39.6615 -14.8964 #-
31 O6a O 37.5485 -13.6627
32 C1a C 38.7800 -16.8210
33 C1a C 36.3574 -15.4100
34 C1b C 35.0094 -19.7425
35 C8y C 36.4094 -19.7425
36 C8x C 37.1059 -20.9490
37 C8x C 38.5059 -20.9490
38 C8y C 39.2060 -19.7366
39 C8x C 38.5095 -18.5301
40 C8x C 37.1095 -18.5301
41 X Cl 40.6000 -19.7367
42 Z Na 41.6945 -14.8706 #+
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 19 20 1
23 20 21 2
24 17 21 1
25 21 22 1
26 20 23 1
27 22 24 1
28 24 25 1
29 24 26 1
30 24 27 1
31 23 28 1
32 28 29 1
33 29 30 1
34 29 31 2
35 28 32 1
36 28 33 1
37 19 34 1
38 34 35 1
39 35 36 2
40 36 37 1
41 37 38 2
42 38 39 1
43 39 40 2
44 35 40 1
45 38 41 1
|