| Entry |
|
|---|
| Name |
Prednisone acetate;
Prednisone 21-acetate |
|---|
| Formula |
C23H28O6
|
|---|
| Exact mass |
400.1886
|
|---|
| Mol weight |
400.4648
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
| Product (DG00094): | D00473<US> |
|
|---|
| Efficacy |
Anti-inflammatory, Glucocorticoid receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
A07E INTESTINAL ANTIINFLAMMATORY AGENTS
A07EA Corticosteroids acting locally
A07EA03 Prednisone
D08416 Prednisone acetate
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H02 CORTICOSTEROIDS FOR SYSTEMIC USE
H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
H02AB Glucocorticoids
H02AB07 Prednisone
D08416 Prednisone acetate
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
DG00094 Prednisone
D08416 Prednisone acetate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C1 (GR)
D08416 Prednisone acetate
Drug groups [BR:br08330]
Anti-inflammatory
DG01955 Corticosteroid
DG02068 Glucocorticoid
DG00094 Prednisone
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 29
1 C2x C 18.7600 -20.0200
2 C5x C 18.7600 -21.3500
3 C2x C 19.9500 -22.0500
4 C2y C 21.1400 -21.3500
5 C1z C 21.1400 -20.0200
6 C2x C 19.9500 -19.3200
7 C1x C 22.3300 -22.0500
8 C1x C 23.5200 -21.3500
9 C1y C 23.5200 -20.0200
10 C1y C 22.3300 -19.3200
11 C1y C 24.7100 -19.3200
12 C1z C 24.7100 -17.9900
13 C1x C 23.5200 -17.2900
14 C5x C 22.3300 -17.9900
15 C1x C 27.0200 -19.3200
16 C1x C 27.0200 -17.9900
17 C1z C 25.8300 -17.2900
18 C1a C 24.7100 -16.5900
19 C5a C 25.8300 -15.9600
20 C1a C 21.1400 -18.6200
21 C1b C 27.0200 -15.2600
22 O5x O 17.5700 -22.0500
23 O7a O 28.2800 -15.9600
24 O1a O 27.2300 -16.9400
25 O5a O 24.6400 -15.2600
26 O5x O 21.0700 -17.2900
27 C7a C 29.4700 -15.2600
28 C1a C 30.7300 -15.9600
29 O6a O 29.4700 -13.8600
BOND 32
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 12 18 1 #Up
22 17 19 1 #Up
23 5 20 1 #Up
24 19 21 1
25 2 22 2
26 21 23 1
27 17 24 1 #Down
28 19 25 2
29 14 26 2
30 23 27 1
31 27 28 1
32 27 29 2
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