| Entry |
|
|---|
| Name |
Tralonide (USAN/INN) |
|---|
| Formula |
C24H28Cl2F2O4
|
|---|
| Exact mass |
488.1333
|
|---|
| Mol weight |
489.38
|
|---|
| 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)
D06201 Tralonide (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C2x C 20.0029 -19.3452
2 C5x C 20.0029 -20.7026
3 C2x C 21.1784 -21.3812
4 C2y C 22.3538 -20.7026
5 C1z C 22.3538 -19.3452
6 C2x C 21.1784 -18.6665
7 C1y C 23.5294 -21.3812
8 C1x C 24.7048 -20.7026
9 C1y C 24.7048 -19.3452
10 C1z C 23.5294 -18.6665
11 C1y C 25.8803 -18.6665
12 C1z C 25.8803 -17.3093
13 C1x C 24.7048 -16.6307
14 C1y C 23.5294 -17.3093
15 C1x C 28.2312 -18.6665
16 C1y C 28.2312 -17.3093
17 C1z C 27.0558 -16.6307
18 X Cl 23.5320 -20.0240
19 C1a C 25.9073 -15.9520
20 C1a C 22.3508 -17.9488
21 X Cl 22.3051 -16.6025
22 O5x O 18.8027 -21.3958
23 C5a C 27.0554 -14.9974
24 C1b C 25.8593 -14.3073
25 O5a O 28.2768 -14.2918
26 O2x O 28.2589 -15.9052
27 O2x O 29.6546 -17.3009
28 C1z C 29.6546 -15.9052
29 C1a C 29.6546 -14.5054
30 C1a C 31.0544 -15.9052
31 X F 24.6375 -15.0135
32 X F 23.5292 -22.7500
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 10 18 1 #Down
22 12 19 1 #Up
23 5 20 1 #Up
24 14 21 1 #Up
25 2 22 2
26 17 23 1 #Up
27 23 24 1
28 23 25 2
29 17 26 1 #Down
30 16 27 1 #Down
31 26 28 1
32 27 28 1
33 28 29 1
34 28 30 1
35 24 31 1
36 7 32 1 #Down
|
|---|
