| Entry |
|
|---|
| Name |
Prednival (USAN) |
|---|
| Formula |
C26H36O6
|
|---|
| Exact mass |
444.2512
|
|---|
| Mol weight |
444.56
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Anti-inflammatory, 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)
D05603 Prednival (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C2x C 18.8829 -19.7684
2 C5x C 18.8829 -21.1314
3 C2x C 20.0633 -21.8129
4 C2y C 21.2437 -21.1314
5 C1z C 21.2437 -19.7684
6 C2x C 20.0633 -19.0868
7 C1x C 22.4241 -21.8129
8 C1x C 23.6045 -21.1314
9 C1y C 23.6045 -19.7684
10 C1y C 22.4241 -19.0868
11 C1y C 24.7850 -19.0868
12 C1z C 24.7850 -17.7238
13 C1x C 23.6045 -17.0423
14 C1y C 22.4241 -17.7238
15 C1x C 27.1457 -19.0868
16 C1x C 27.1457 -17.7238
17 C1z C 25.9654 -17.0423
18 O5x O 17.7025 -21.8129
19 C1a C 21.2437 -18.4053
20 O1a O 21.2457 -17.0435
21 C1a C 24.7850 -16.3608
22 C5a C 25.9654 -15.3348
23 O7a O 27.1457 -16.3608
24 C1b C 27.1497 -14.6511
25 O5a O 24.7889 -14.6555
26 O1a O 28.3156 -15.3243
27 C7a C 28.3773 -17.0716
28 C1b C 29.5655 -16.3853
29 O6a O 28.3776 -18.4797
30 C1b C 30.7566 -17.0728
31 C1b C 31.9458 -16.3859
32 C1a C 33.1364 -17.0731
BOND 35
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 14 20 1 #Up
24 12 21 1 #Up
25 17 22 1 #Up
26 17 23 1 #Down
27 22 24 1
28 22 25 2
29 24 26 1
30 23 27 1
31 27 28 1
32 27 29 2
33 28 30 1
34 30 31 1
35 31 32 1
|
|---|
