| Entry |
|
|---|
| Name |
Formocortal (USAN/INN);
Deflamene (TN) |
|---|
| Formula |
C29H38ClFO8
|
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| Exact mass |
568.2239
|
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| Mol weight |
569.0586
|
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| Structure |
|
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| Simcomp |
|
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| Class |
|
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| Remark |
|
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| Efficacy |
Anti-inflammatory (ophthalmic), Glucocorticoid receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01B ANTIINFLAMMATORY AGENTS
S01BA Corticosteroids, plain
S01BA12 Formocortal
D04244 Formocortal (USAN/INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
D04244 Formocortal
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C1 (GR)
D04244 Formocortal (USAN/INN)
|
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| Other DBs |
|
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| KCF data |
ATOM 39
1 C1x C 18.8300 -28.6300
2 C2y C 18.8300 -29.9600
3 C2x C 20.0200 -30.6600
4 C2y C 21.1400 -29.9600
5 C1z C 21.1400 -28.6300
6 C1x C 20.0200 -28.0000
7 C2y C 22.3300 -30.6600
8 C1x C 23.5200 -29.9600
9 C1y C 23.5200 -28.6300
10 C1z C 22.3300 -28.0000
11 C1y C 24.5700 -28.0000
12 C1z C 24.5700 -26.6700
13 C1x C 23.5200 -25.9700
14 C1y C 22.3300 -26.6700
15 C1x C 26.8800 -28.0000
16 C1y C 26.8800 -26.6700
17 C1z C 25.6900 -25.9700
18 O2a O 17.7100 -30.6600
19 C1a C 21.1400 -27.3000
20 X F 22.3300 -29.2600
21 O1a O 21.1400 -25.9700
22 C1a C 24.5700 -25.2700
23 C5a C 25.6900 -24.1500
24 O2x O 27.0900 -25.0600
25 O2x O 28.2800 -26.6700
26 C1z C 28.4900 -25.0600
27 C1a C 29.8200 -25.0600
28 C1a C 28.4900 -23.8000
29 C4a C 22.3300 -32.0600
30 O5a O 26.8800 -23.4500
31 C1b C 24.5000 -23.4500
32 O7a O 23.3100 -24.1500
33 O4a O 23.5424 -32.7600
34 C1b C 16.4738 -30.0029
35 C1b C 15.2572 -30.7629
36 X Cl 14.0098 -30.0999
37 C7a C 22.0919 -23.4599
38 C1a C 20.9105 -24.1550
39 O6a O 22.1502 -22.0506
BOND 43
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 1
22 5 19 1 #Up
23 10 20 1 #Down
24 14 21 1 #Up
25 12 22 1 #Up
26 17 23 1 #Up
27 17 24 1 #Down
28 16 25 1 #Down
29 24 26 1
30 26 25 1
31 26 27 1
32 26 28 1
33 7 29 1
34 23 30 2
35 23 31 1
36 31 32 1
37 29 33 2
38 18 34 1
39 34 35 1
40 35 36 1
41 32 37 1
42 37 38 1
43 37 39 2
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