| Entry |
|
|---|
| Name |
Fosdagrocorat (USAN/INN) |
|---|
| Formula |
C29H30F3N2O5P
|
|---|
| Exact mass |
574.1844
|
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| Mol weight |
574.5279
|
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| Structure |
|
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| Simcomp |
|
|---|
| Efficacy |
Anti-inflammatory, Antirheumatic, Glucocorticoid receptor agonist |
|---|
| Comment |
Treatment of rheumatoid arthritis, inflammatory diseases
|
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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)
D10634 Fosdagrocorat (USAN/INN)
|
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| Other DBs |
|
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| KCF data |
ATOM 40
1 C1x C 16.9400 -18.7600
2 C1z C 16.9400 -20.1600
3 C1x C 18.2000 -20.8600
4 C1y C 19.3900 -20.1600
5 C1z C 19.3900 -18.7600
6 C1x C 18.2000 -18.0600
7 C1x C 20.5800 -20.8600
8 C1x C 21.8400 -20.1600
9 C8y C 21.8400 -18.7600
10 C8y C 20.5800 -18.0600
11 C8x C 23.0300 -18.0600
12 C8y C 23.0300 -16.6600
13 C8x C 21.8400 -15.9600
14 C8x C 20.5800 -16.6600
15 C1b C 19.3900 -17.3600
16 C8y C 18.2000 -16.6600
17 C8x C 18.2000 -15.2600
18 C8x C 16.9400 -14.5600
19 C8x C 15.7500 -15.2600
20 C8x C 15.7500 -16.6600
21 C8x C 16.9400 -17.3600
22 C1d C 15.5400 -20.1600
23 X F 14.2100 -20.1600
24 O2b O 16.9400 -21.7000
25 C5a C 24.2200 -15.9600
26 N1b N 24.2200 -14.5600
27 C8y C 25.4100 -13.8600
28 C8y C 26.6700 -14.5600
29 C1a C 26.6700 -15.9600
30 O5a O 25.4100 -16.6600
31 N5x N 27.8600 -13.8600
32 C8x C 27.8600 -12.5300
33 C8x C 26.6700 -11.8300
34 C8x C 25.4100 -12.5300
35 X F 15.5400 -18.7600
36 X F 15.5400 -21.5600
37 P1b P 16.9400 -23.1000
38 O1c O 16.9400 -24.5000
39 O1c O 18.3400 -23.1000
40 O1c O 15.5400 -23.1000
BOND 44
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 10 14 2
17 5 15 1 #Down
18 15 16 1
19 16 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 20 21 1
24 16 21 2
25 2 22 1
26 22 23 1
27 2 24 1 #Down
28 12 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 25 30 2
34 28 31 2
35 31 32 1
36 32 33 2
37 33 34 1
38 27 34 2
39 22 35 1
40 22 36 1
41 24 37 1
42 37 38 1
43 37 39 2
44 37 40 1
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