| Entry |
|
|---|
| Name |
Cedirogant (USAN/INN) |
|---|
| Formula |
C24H20Cl3F3N2O3
|
|---|
| Exact mass |
546.0492
|
|---|
| Mol weight |
547.78
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory disease, RAR related orphan receptor gamma inverse agonist/antagonist |
|---|
| Comment |
Treatment of psoriasis
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
RAR-related orphan receptor
NR1F3 (RORC)
D12274 Cedirogant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C1x C 22.6800 -12.6700
2 N1y N 22.6800 -14.0700
3 C1x C 23.8924 -14.7700
4 C1x C 25.1049 -14.0700
5 C1y C 25.1049 -12.6700
6 C1x C 23.8924 -11.9700
7 C1b C 26.3360 -11.9590
8 C6a C 27.5412 -12.6547
9 O6a O 28.7235 -11.9719
10 O6a O 27.5416 -14.0696
11 C5a C 21.4676 -14.7700
12 C8y C 20.2721 -14.0796
13 O5a O 21.4675 -16.1698
14 C8x C 20.2720 -12.6703
15 C8x C 19.0596 -11.9703
16 C8y C 17.8472 -12.6703
17 C8y C 17.8472 -14.0797
18 C8y C 19.0596 -14.7796
19 X Cl 16.6367 -11.9715
20 X Cl 19.0595 -16.1699
21 C1b C 16.6411 -14.7760
22 N4y N 16.6411 -16.1760
23 C8y C 15.5238 -16.9879
24 C8y C 15.9506 -18.3014
25 C8x C 17.3318 -18.3013
26 C8x C 17.7585 -16.9878
27 C8y C 14.1543 -16.6969
28 C8x C 13.2176 -17.7374
29 C8y C 13.6445 -19.0509
30 C8x C 15.0139 -19.3419
31 X Cl 13.7296 -15.3915
32 C1d C 12.7156 -20.0826
33 X F 13.7056 -21.0725
34 X F 11.7257 -19.0926
35 X F 11.7257 -21.0725
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 8 10 2
11 2 11 1
12 11 12 1
13 11 13 2
14 12 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 12 18 1
20 16 19 1
21 18 20 1
22 17 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 2
28 22 26 1
29 23 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 24 30 2
34 27 31 1
35 29 32 1
36 32 33 1
37 32 34 1
38 32 35 1
|
|---|
