| Entry |
|
|---|
| Name |
Clocortolone (INN) |
|---|
| Formula |
C22H28ClFO4
|
|---|
| Exact mass |
410.166
|
|---|
| Mol weight |
410.9067
|
|---|
| Structure |
|
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| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
| Product (DG00416): | D02287<US> |
|
|---|
| Efficacy |
Anti-inflammatory, Glucocorticoid receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
D07A CORTICOSTEROIDS, PLAIN
D07AB Corticosteroids, moderately potent (group II)
D07AB21 Clocortolone
D07719 Clocortolone (INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
DG00416 Clocortolone
D07719 Clocortolone
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C1 (GR)
D07719 Clocortolone (INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
DG00416 Clocortolone
|
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| Other DBs |
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| KCF data |
ATOM 28
1 C2x C 18.2000 -19.3200
2 C5x C 18.2000 -20.6500
3 C2x C 19.3900 -21.3500
4 C2y C 20.5800 -20.6500
5 C1z C 20.5800 -19.3200
6 C2x C 19.3900 -18.6200
7 C1y C 21.7700 -21.3500
8 C1x C 22.8900 -20.6500
9 C1y C 22.8900 -19.3200
10 C1z C 21.7700 -18.6200
11 C1y C 24.0800 -18.6200
12 C1z C 24.0800 -17.2900
13 C1x C 22.8900 -16.5900
14 C1y C 21.7700 -17.2900
15 C1x C 26.4600 -18.6200
16 C1y C 26.4600 -17.2900
17 C1y C 25.2700 -16.5900
18 X F 21.7700 -22.7500
19 X Cl 21.7700 -20.0200
20 C1a C 27.6500 -16.5900
21 C1a C 24.0100 -15.8900
22 C1a C 20.5800 -17.9900
23 O5x O 17.0100 -21.3500
24 O1a O 20.5800 -16.5900
25 C5a C 25.2700 -15.1900
26 O5a O 24.0100 -14.4900
27 C1b C 26.4766 -14.4800
28 O1a O 27.6863 -15.1653
BOND 31
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 1
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 7 18 1 #Down
22 10 19 1 #Down
23 16 20 1 #Down
24 12 21 1 #Up
25 5 22 1 #Up
26 2 23 2
27 14 24 1 #Up
28 17 25 1 #Up
29 25 26 2
30 25 27 1
31 27 28 1
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