| Entry |
|
|---|
| Name |
Mapracorat (USAN) |
|---|
| Formula |
C25H26F4N2O2
|
|---|
| Exact mass |
462.1930
|
|---|
| Mol weight |
462.48
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory, Glucocorticoid receptor agonist |
|---|
| Comment |
Treatment of dermatitis
|
|---|
| 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)
D10136 Mapracorat (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8x C 20.0200 -17.6400
2 C8y C 20.0200 -19.0400
3 C8y C 21.2324 -19.7400
4 N5x N 22.4449 -19.0400
5 C8y C 22.4449 -17.6400
6 C8x C 21.2324 -16.9400
7 C8y C 18.8076 -19.7400
8 C8x C 18.8076 -21.1400
9 C8x C 20.0200 -21.8400
10 C8x C 21.2324 -21.1400
11 C1a C 23.6760 -16.9290
12 N1b N 17.6121 -19.0496
13 C1b C 16.4247 -19.7351
14 C1d C 15.2335 -19.0471
15 C1b C 14.0440 -19.7338
16 C1d C 12.8539 -19.0465
17 C8y C 11.6638 -19.7335
18 C8x C 10.4740 -19.0463
19 C8y C 9.2614 -19.7461
20 C8x C 9.2612 -21.1461
21 C8y C 10.4511 -21.8333
22 C8y C 11.6636 -21.1335
23 C1x C 10.7420 -23.2028
24 C1x C 12.1343 -23.3493
25 O2x O 12.7039 -22.0704
26 X F 8.0304 -19.0351
27 C1a C 13.5539 -17.8340
28 C1a C 12.1539 -17.8340
29 C1d C 15.2335 -17.6471
30 X F 16.4688 -16.9337
31 X F 14.0381 -16.9567
32 X F 15.2335 -16.2471
33 O1a O 15.2335 -20.4471
BOND 36
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 3 10 1
12 5 11 1
13 7 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 21 23 1
26 23 24 1
27 24 25 1
28 22 25 1
29 19 26 1
30 16 27 1
31 16 28 1
32 14 29 1
33 29 30 1
34 29 31 1
35 29 32 1
36 14 33 1 #Up
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|---|
