Entry |
|
Name |
Relacorilant (USAN) |
Formula |
C27H22F4N6O3S
|
Exact mass |
586.1410
|
Mol weight |
586.56
|
Structure |

|
Efficacy |
Antineoplastic, Glucocorticoid receptor antagonist |
Comment |
Treatment of Cushing's syndrome and oncologic indications (in combination with appropriate chemotherapy)
|
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)
D11336 Relacorilant (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 41
1 C8y C 12.5300 -16.3800
2 C8y C 12.5300 -17.7800
3 C2x C 13.7200 -18.4800
4 C2y C 14.9800 -17.7800
5 C1z C 14.9800 -16.3800
6 C1x C 13.7200 -15.6800
7 C1x C 16.1700 -18.4800
8 C1x C 17.3600 -17.7800
9 N1y N 17.3600 -16.3800
10 C1x C 16.1700 -15.6800
11 C5a C 14.9800 -14.9800
12 O5a O 16.1700 -14.2800
13 C8y C 13.7900 -14.2800
14 C8x C 13.7900 -12.8800
15 C8y C 12.5300 -12.1800
16 C8x C 11.3400 -12.8800
17 C8x C 11.3400 -14.2800
18 N5x N 12.5300 -14.9800
19 S4a S 18.5500 -15.6800
20 C8y C 19.7400 -16.3800
21 C8x C 19.7400 -17.7800
22 N5x N 21.0000 -18.2700
23 N4y N 21.9100 -17.1500
24 C8x C 21.1400 -16.0300
25 O3c O 19.6000 -14.7000
26 O3c O 17.8500 -14.4900
27 C1a C 23.3100 -17.1500
28 C1d C 12.5128 -10.7801
29 X F 11.1128 -10.7801
30 X F 13.9128 -10.7801
31 X F 12.5128 -9.3801
32 C8x C 11.1985 -15.9474
33 N5x N 10.3756 -17.0800
34 N4y N 11.1985 -18.2126
35 C8y C 10.7697 -19.5322
36 C8x C 9.4106 -19.8211
37 C8x C 8.9780 -21.1526
38 C8y C 9.9147 -22.1930
39 C8x C 11.2738 -21.9041
40 C8x C 11.7065 -20.5727
41 X F 9.4856 -23.5142
BOND 46
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 5 11 1 #Up
13 11 12 2
14 11 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 9 19 1
22 19 20 1
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 1
27 20 24 2
28 19 25 2
29 19 26 2
30 23 27 1
31 15 28 1
32 28 29 1
33 28 30 1
34 28 31 1
35 1 32 1
36 32 33 2
37 33 34 1
38 2 34 1
39 34 35 1
40 35 36 2
41 36 37 1
42 37 38 2
43 38 39 1
44 39 40 2
45 35 40 1
46 38 41 1
|