| Entry |
|
|---|
| Name |
Fluprednisolone valerate (USAN) |
|---|
| Formula |
C26H35FO6
|
|---|
| Exact mass |
462.2418
|
|---|
| Mol weight |
462.55
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| 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)
D04228 Fluprednisolone valerate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C2x C 16.6657 -19.6629
2 C5x C 16.6657 -21.0266
3 C2x C 17.8466 -21.7084
4 C2y C 19.0275 -21.0266
5 C1z C 19.0275 -19.6629
6 C2x C 17.8466 -18.9811
7 C1y C 20.2085 -21.7084
8 C1x C 21.3894 -21.0266
9 C1y C 21.3894 -19.6629
10 C1y C 20.2085 -18.9811
11 C1y C 22.5704 -18.9811
12 C1z C 22.5704 -17.6175
13 C1x C 21.3894 -16.9357
14 C1y C 20.2085 -17.6175
15 C1x C 24.9321 -18.9811
16 C1x C 24.9321 -17.6175
17 C1z C 23.7513 -16.9357
18 C1a C 22.4575 -16.2540
19 C5a C 23.7565 -15.5722
20 X F 20.2176 -23.1025
21 O5x O 15.4430 -21.7329
22 C1b C 24.9432 -14.8930
23 O5a O 22.5311 -14.8578
24 O1a O 19.0245 -16.9266
25 O7a O 25.0601 -16.5758
26 O1a O 26.1377 -15.5891
27 C1a C 19.0245 -18.2601
28 C7a C 26.0636 -17.5661
29 C1b C 27.3905 -17.2011
30 O6a O 25.7079 -18.9300
31 C1b C 28.3858 -18.1834
32 C1b C 29.7629 -17.8041
33 C1a C 30.7412 -18.7687
BOND 36
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 7 20 1 #Down
24 2 21 2
25 19 22 1
26 19 23 2
27 14 24 1 #Up
28 17 25 1 #Down
29 22 26 1
30 5 27 1 #Up
31 25 28 1
32 28 29 1
33 28 30 2
34 29 31 1
35 31 32 1
36 32 33 1
|
|---|
