| Entry |
|
|---|
| Name |
Dichlorisone (INN) |
|---|
| Formula |
C21H26Cl2O4
|
|---|
| Exact mass |
412.1208
|
|---|
| Mol weight |
413.3347
|
|---|
| 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)
D07814 Dichlorisone (INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 C2x C 20.5974 -20.0083
2 C5x C 20.5974 -21.3760
3 C2x C 21.7819 -22.0599
4 C2y C 22.9665 -21.3760
5 C1z C 22.9665 -20.0083
6 C2x C 21.7819 -19.3244
7 C1x C 24.1510 -22.0599
8 C1x C 25.3355 -21.3760
9 C1y C 25.3355 -20.0083
10 C1z C 24.1510 -19.3244
11 C1y C 26.5201 -19.3244
12 C1z C 26.5201 -17.9566
13 C1x C 25.3355 -17.2727
14 C1y C 24.1510 -17.9566
15 C1x C 28.8891 -19.3244
16 C1x C 28.8891 -17.9566
17 C1z C 27.7046 -17.2727
18 O5x O 19.4129 -22.0599
19 C1a C 22.9665 -18.6405
20 C1a C 26.5201 -16.5888
21 C5a C 27.7046 -15.9049
22 C1b C 28.8931 -15.2188
23 O5a O 26.5240 -15.2233
24 O1a O 28.8891 -16.5888
25 X Cl 22.9685 -17.2739
26 X Cl 24.1510 -20.6921
27 O1a O 28.8931 -13.8510
BOND 30
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
|
|---|
