| Entry |
|
|---|
| Name |
Halopredone acetate (JAN/USAN);
Haloart (TN) |
|---|
| Formula |
C25H29BrF2O7
|
|---|
| Exact mass |
558.1065
|
|---|
| Mol weight |
559.3944
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anti-inflammatory (topical), Glucocorticoid receptor partial agonist |
|---|
| Comment |
Adrenal cortex hormone
|
|---|
| 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)
D01743 Halopredone acetate (JAN/USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 35
1 C2y C 24.0100 -21.9800
2 C5x C 24.0100 -23.2400
3 C2x C 25.2000 -23.9400
4 C2y C 26.3900 -23.2400
5 C1z C 26.3900 -21.9800
6 C2x C 25.2000 -21.2800
7 C1y C 27.5100 -23.9400
8 C1x C 28.7000 -23.2400
9 C1y C 28.7000 -21.9800
10 C1z C 27.5100 -21.2800
11 C1y C 29.9600 -21.2800
12 C1z C 29.9600 -19.8800
13 C1x C 28.7000 -19.1100
14 C1y C 27.5100 -19.8800
15 X Br 22.8200 -21.2800
16 O5x O 22.8200 -23.9400
17 C1a C 26.3900 -20.5800
18 O1a O 26.3900 -19.1100
19 C1a C 29.9600 -18.5500
20 X F 27.5100 -25.3400
21 X F 27.5100 -22.5400
22 C1x C 32.3400 -21.2800
23 C1x C 32.3400 -19.8800
24 C1z C 31.1500 -19.1800
25 C5a C 31.1500 -17.6400
26 O7a O 32.3400 -18.4800
27 O5a O 32.3400 -17.0800
28 C1b C 29.9600 -17.0100
29 O7a O 28.7700 -17.6400
30 C7a C 27.5800 -16.9400
31 C1a C 26.3900 -17.6400
32 O6a O 27.5800 -15.5400
33 C7a C 33.5300 -19.1800
34 C1a C 34.7200 -18.4800
35 O6a O 33.5300 -20.5800
BOND 38
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 1 15 1
18 2 16 2
19 5 17 1 #Up
20 14 18 1 #Up
21 12 19 1 #Up
22 7 20 1 #Up
23 10 21 1 #Down
24 11 22 1
25 22 23 1
26 23 24 1
27 12 24 1
28 24 25 1 #Up
29 24 26 1 #Down
30 25 27 2
31 25 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 30 32 2
36 26 33 1
37 33 34 1
38 33 35 2
|
|---|
