| Entry |
|
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| Name |
Tranimilast (USAN/INN) |
|---|
| Formula |
C30H30Cl2F2N2O8S
|
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| Exact mass |
686.1068
|
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| Mol weight |
687.53
|
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| Structure |
|
|---|
| Efficacy |
Anti-inflammatory, Phosphodiesterase IV inhibitor |
|---|
| Comment |
Treatment of chronic obstructive pulmonary disease
|
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| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE4
D12397 Tranimilast (USAN/INN)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 45
1 C8y C 31.0100 -12.4600
2 C8y C 31.0100 -13.8600
3 C8x C 32.2000 -14.5600
4 C8y C 33.4600 -13.8600
5 C8x C 33.4600 -12.4600
6 C8x C 32.2000 -11.7600
7 O2a O 29.8200 -11.7600
8 O2a O 29.8200 -14.5600
9 C1c C 29.8200 -10.3600
10 X F 31.0100 -9.6600
11 X F 28.6300 -9.6600
12 C1b C 28.6300 -13.8600
13 C1y C 27.4400 -14.5600
14 C1x C 26.7400 -15.7500
15 C1x C 26.0400 -14.5600
16 C1c C 34.6500 -14.5600
17 C1b C 35.9100 -13.8600
18 C8y C 37.1000 -14.6300
19 O7a O 34.6500 -15.9600
20 C8y C 37.1000 -16.0300
21 C8x C 38.2900 -16.7300
22 N4y N 39.5500 -16.0300
23 C8x C 39.5500 -14.6300
24 C8y C 38.2900 -13.9300
25 X Cl 38.2900 -12.5300
26 X Cl 35.9100 -16.7300
27 O3a O 40.7400 -16.7300
28 C7a C 33.4600 -16.6600
29 O6a O 32.2700 -15.9600
30 C8y C 33.4600 -18.0600
31 C8x C 32.2700 -18.7600
32 C8y C 32.2700 -20.1600
33 C8y C 33.4600 -20.8600
34 C8x C 34.6500 -20.1600
35 C8x C 34.6500 -18.7600
36 O2a O 31.0800 -20.8600
37 C1b C 29.8900 -20.1600
38 C1y C 28.7000 -20.8600
39 C1x C 28.0000 -22.0500
40 C1x C 27.2300 -20.8600
41 N1b N 33.4600 -22.2600
42 S4a S 32.2476 -22.9600
43 C1a C 31.0351 -23.6600
44 O3c O 31.5476 -21.7476
45 O3c O 32.9476 -24.1724
BOND 49
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 2 8 1
9 7 9 1
10 9 10 1
11 9 11 1
12 8 12 1
13 12 13 1
14 14 13 1
15 13 15 1
16 15 14 1
17 4 16 1
18 16 17 1
19 17 18 1
20 16 19 1
21 18 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 18 24 1
27 24 25 1
28 20 26 1
29 22 27 2
30 19 28 1
31 28 29 2
32 28 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 33 34 1
37 34 35 2
38 30 35 1
39 32 36 1
40 36 37 1
41 37 38 1
42 39 38 1
43 38 40 1
44 40 39 1
45 33 41 1
46 41 42 1
47 42 43 1
48 42 44 2
49 42 45 2
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