| Entry |
|
|---|
| Name |
Descinolone acetonide (USAN) |
|---|
| Formula |
C24H31FO5
|
|---|
| Exact mass |
418.2156
|
|---|
| Mol weight |
418.4983
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-inflammatory (topical), Glucocorticoid receptor agonist |
|---|
| 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)
D03691 Descinolone acetonide (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C2x C 18.6900 -29.1900
2 C5x C 18.6900 -30.5200
3 C2x C 19.8800 -31.2200
4 C2y C 21.0700 -30.5200
5 C1z C 21.0700 -29.1900
6 C2x C 19.8800 -28.4900
7 C1x C 22.2600 -31.2200
8 C1x C 23.4500 -30.5200
9 C1y C 23.4500 -29.1900
10 C1z C 22.2600 -28.4900
11 C1y C 24.5000 -28.4900
12 C1z C 24.5000 -27.1600
13 C1x C 23.4500 -26.4600
14 C1y C 22.2600 -27.1600
15 C1x C 26.8800 -28.4900
16 C1y C 26.8800 -27.1600
17 C1z C 25.6900 -26.4600
18 O5x O 17.5700 -31.2200
19 C1a C 21.0700 -27.7900
20 X F 22.2600 -29.8200
21 O1a O 21.0700 -26.4600
22 C1a C 24.5000 -25.7600
23 C5a C 25.6900 -24.8500
24 O2x O 27.0900 -25.5500
25 O5a O 26.8800 -24.2200
26 C1a C 24.5000 -24.2200
27 O2x O 28.2800 -27.1600
28 C1z C 28.4900 -25.5500
29 C1a C 29.8900 -25.5500
30 C1a C 28.4900 -24.2200
BOND 34
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 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 23 25 2
29 23 26 1
30 16 27 1 #Down
31 24 28 1
32 28 27 1
33 28 29 1
34 28 30 1
|
|---|
