| Entry |
|
|---|
| Name |
Dichlorisone acetate;
Dichlorisone 21-acetate;
Dermaren (TN) |
|---|
| Formula |
C23H28Cl2O5
|
|---|
| Exact mass |
454.1314
|
|---|
| Mol weight |
455.37
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-inflammatory (topical), Glucocorticoid receptor agonist |
|---|
| Comment |
Adrenal cortex hormone
|
|---|
| 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)
D07815 Dichlorisone acetate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C2x C 21.5600 -21.4200
2 C5x C 21.5600 -22.7500
3 C2x C 22.7500 -23.4500
4 C2y C 23.9400 -22.7500
5 C1z C 23.9400 -21.4200
6 C2x C 22.7500 -20.7200
7 C1x C 25.1300 -23.4500
8 C1x C 26.3200 -22.7500
9 C1y C 26.3200 -21.4200
10 C1z C 25.1300 -20.7200
11 C1y C 27.5100 -20.7200
12 C1z C 27.5100 -19.3900
13 C1x C 26.3200 -18.6900
14 C1y C 25.1300 -19.3900
15 C1x C 29.8900 -20.7200
16 C1x C 29.8900 -19.3900
17 C1z C 28.7000 -18.6900
18 O5x O 20.3700 -23.4500
19 C1a C 23.9400 -20.0200
20 C1a C 27.5100 -17.9900
21 C5a C 28.7000 -17.2900
22 C1b C 29.8900 -16.5900
23 O5a O 27.5100 -16.5900
24 O1a O 30.0300 -18.2700
25 X Cl 23.9400 -18.6900
26 X Cl 25.1300 -22.1200
27 O7a O 31.1081 -17.2801
28 C7a C 32.2895 -16.5850
29 C1a C 33.4949 -17.2680
30 O6a O 32.2781 -15.1900
BOND 33
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 2 18 2
22 5 19 1 #Up
23 12 20 1 #Up
24 17 21 1
25 21 22 1
26 21 23 2
27 17 24 1 #Down
28 14 25 1 #Up
29 10 26 1 #Down
30 22 27 1
31 27 28 1
32 28 29 1
33 28 30 2
|
|---|
