| Entry |
|
|---|
| Name |
Ticabesone propionate (USAN) |
|---|
| Formula |
C25H32F2O5S
|
|---|
| Exact mass |
482.1939
|
|---|
| Mol weight |
482.58
|
|---|
| 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)
D06135 Ticabesone propionate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C1y C 32.1381 -18.9808
2 C1z C 30.9764 -18.2964
3 C1y C 33.2997 -18.3138
4 C1x C 32.1381 -20.3266
5 C1z C 29.8089 -18.9694
6 C1y C 30.9879 -16.9565
7 C1z C 33.3170 -16.9738
8 C1x C 35.6289 -18.3426
9 C1y C 30.9648 -20.9937
10 C2y C 29.8032 -20.3151
11 C2x C 28.6415 -18.2908
12 C1x C 32.1612 -16.2894
13 C1z C 34.4902 -16.3181
14 C1y C 35.6460 -17.0025
15 C2x C 28.6415 -20.9878
16 C2x C 27.4684 -18.9694
17 C5a C 35.7956 -15.2862
18 O7a O 34.4959 -14.6159
19 C5x C 27.4684 -20.3151
20 O5x O 26.3067 -20.9878
21 X F 30.9534 -19.5846
22 C1a C 29.8089 -17.5889
23 C1a C 33.3170 -15.5932
24 X F 30.9567 -22.4207
25 O1a O 29.7670 -16.2387
26 O5a O 37.0193 -15.9313
27 S2a S 35.7421 -13.8998
28 C1a C 36.9476 -13.1400
29 C7a C 33.3453 -13.8385
30 C1b C 32.0808 -14.4541
31 O6a O 33.3047 -12.4373
32 C1a C 30.9199 -13.6699
33 C1a C 37.0430 -17.0025
BOND 36
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 1
14 10 15 2
15 11 16 2
16 13 17 1 #Up
17 13 18 1 #Down
18 15 19 1
19 19 20 2
20 7 12 1
21 9 10 1
22 13 14 1
23 16 19 1
24 2 21 1 #Down
25 5 22 1 #Up
26 7 23 1 #Up
27 9 24 1 #Down
28 6 25 1 #Up
29 17 26 2
30 17 27 1
31 27 28 1
32 18 29 1
33 29 30 1
34 29 31 2
35 30 32 1
36 14 33 1 #Down
|
|---|
