Entry |
|
Name |
Miricorilant (USAN/INN) |
Formula |
C24H23F3N2O2
|
Exact mass |
428.1712
|
Mol weight |
428.45
|
Structure |
|
Efficacy |
Glucocorticoid receptor modulator, Mineralocorticoid receptor antagonist |
Comment |
Treatment of metabolic disorders, especially antipsychotic-induced weight gain
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
hsa04960 | Aldosterone-regulated sodium reabsorption |
|
Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C1 (GR)
D11667 Miricorilant (USAN/INN)
NR3C2 (MR)
D11667 Miricorilant (USAN/INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 31
1 N4x N 21.0398 -14.0489
2 C8y C 21.0398 -15.4465
3 C8y C 19.8518 -16.1453
4 C8y C 18.5940 -15.4465
5 N4x N 18.5940 -14.0489
6 C8y C 19.8518 -13.3501
7 O5x O 19.8518 -11.9525
8 C1b C 19.8518 -17.5429
9 C8y C 21.0398 -18.2417
10 C8x C 22.2277 -17.5429
11 C8y C 23.4856 -18.2417
12 C8x C 23.4856 -19.6393
13 C8x C 22.2976 -20.3381
14 C8x C 21.0398 -19.6393
15 O5x O 22.2277 -16.1453
16 C1d C 24.6735 -17.5429
17 X F 25.9314 -16.8441
18 X F 25.3723 -18.7308
19 X F 23.9747 -16.3549
20 C1y C 17.4060 -16.1453
21 C1x C 17.4060 -17.5429
22 C1x C 16.1482 -18.2417
23 C1y C 14.9602 -17.5429
24 C1x C 14.9602 -16.1453
25 C1x C 16.1482 -15.4465
26 C8y C 13.7722 -18.2417
27 C8x C 13.7722 -19.6393
28 C8x C 12.5144 -20.3381
29 C8x C 11.3264 -19.6393
30 C8x C 11.3264 -18.2417
31 C8x C 12.5144 -17.5429
BOND 34
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 2
8 3 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 2 15 2
17 11 16 1
18 16 17 1
19 16 18 1
20 16 19 1
21 20 4 1 #Up
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 20 25 1
28 23 26 1 #Down
29 26 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 26 31 1
|