| Entry |
|
|---|
| Name |
Velsecorat (USAN/INN) |
|---|
| Formula |
C32H32F2N4O6
|
|---|
| Exact mass |
606.2290
|
|---|
| Mol weight |
606.62
|
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| Structure |
|
|---|
| Efficacy |
Antiasthmatic, Anti-inflammatory, Glucocorticoid receptor agonist |
|---|
| Comment |
Treatment of asthma and chronic obstructive pulmonary disease
|
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| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C1 (GR)
D11937 Velsecorat (USAN/INN)
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 44
1 C1c C 16.9400 -20.1600
2 C1c C 18.1300 -19.4600
3 N1b N 15.7500 -19.4600
4 C5a C 14.5600 -20.1600
5 C1d C 13.3700 -19.4600
6 C1a C 16.9400 -21.5600
7 O5a O 14.5600 -21.5600
8 C1a C 12.1800 -20.1600
9 O2a O 19.3200 -20.1600
10 C8y C 18.1300 -18.0600
11 C8x C 16.9400 -17.3600
12 C8y C 16.9400 -15.9600
13 C8y C 18.1300 -15.2600
14 C8x C 19.3900 -15.9600
15 C8x C 19.3900 -17.3600
16 O2x O 15.6800 -15.2600
17 C1x C 15.6800 -13.8600
18 C1x C 16.9400 -13.1600
19 O2x O 18.1300 -13.8600
20 C8y C 20.5100 -19.4600
21 C8x C 20.5100 -18.0600
22 C8y C 21.7700 -17.3600
23 C8y C 22.9600 -18.0600
24 C8x C 22.9600 -19.4600
25 C8x C 21.7700 -20.1600
26 C8x C 22.0500 -15.9600
27 N5x N 23.4500 -15.8200
28 N4y N 24.0100 -17.1500
29 C8y C 25.4100 -17.4300
30 C8x C 26.3200 -16.3800
31 C8y C 27.7200 -16.6600
32 C8x C 28.1400 -17.9900
33 C8x C 27.1600 -19.0400
34 C8x C 25.8300 -18.7600
35 C5a C 28.6300 -15.6100
36 N1b N 30.0300 -15.8900
37 O5a O 28.2100 -14.2800
38 C1y C 30.9400 -14.8400
39 C1x C 30.6600 -13.4400
40 C1x C 31.8500 -12.7400
41 O2x O 32.9000 -13.7200
42 C1x C 32.3400 -14.9800
43 X F 14.0700 -18.2476
44 X F 12.6700 -18.2476
BOND 49
1 1 2 1
2 1 3 1
3 3 4 1
4 4 5 1
5 1 6 1 #Down
6 4 7 2
7 5 8 1
8 2 9 1 #Up
9 2 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 10 15 1
16 12 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 13 19 1
21 9 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 20 25 1
28 22 26 1
29 26 27 2
30 27 28 1
31 23 28 1
32 28 29 1
33 29 30 2
34 30 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 29 34 1
39 31 35 1
40 35 36 1
41 35 37 2
42 38 36 1 #Down
43 38 39 1
44 39 40 1
45 40 41 1
46 41 42 1
47 38 42 1
48 5 43 1
49 5 44 1
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