| Entry |
|
|---|
| Name |
Tildacerfont (USAN/INN) |
|---|
| Formula |
C20H26ClN5OS
|
|---|
| Exact mass |
419.1547
|
|---|
| Mol weight |
419.97
|
|---|
| Structure |
|
|---|
| Efficacy |
Corticotropin releasing hormone receptor 1 antagonist |
|---|
| Comment |
Treatment of congenital adrenal hyperplasia
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Secretin receptor family
Corticotropin-releasing hormone
CRHR1
D12761 Tildacerfont (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8y C 14.9850 -16.0345
2 C8x C 14.9850 -17.4294
3 C8y C 16.1707 -18.1269
4 N5x N 17.4261 -17.4294
5 C8y C 17.4261 -16.0345
6 N4y N 16.1707 -15.3370
7 C8y C 18.4723 -15.1278
8 C8y C 17.8446 -13.8026
9 N5x N 16.4497 -13.9421
10 C8y C 19.8673 -15.4067
11 C8y C 20.4252 -16.6622
12 N5x N 21.8202 -16.5227
13 C8y C 22.0992 -15.1278
14 S2x S 20.9135 -14.4303
15 N1y N 23.3546 -14.5698
16 C1x C 23.3546 -13.1748
17 C1x C 24.5403 -15.2672
18 C1x C 25.7957 -14.5698
19 O2x O 25.7957 -13.1748
20 C1x C 24.5403 -12.4774
21 C1a C 16.1535 -19.5217
22 C1c C 13.7741 -15.3419
23 C1b C 12.5900 -16.0322
24 C1b C 13.7683 -13.9424
25 C1a C 12.5808 -13.2630
26 C1a C 11.3979 -15.3504
27 X Cl 19.7243 -17.8682
28 C1a C 18.5401 -12.5719
BOND 31
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 5 7 2
8 7 8 1
9 8 9 2
10 6 9 1
11 7 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 10 14 1
17 13 15 1
18 16 15 1
19 15 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 16 20 1
24 3 21 1
25 1 22 1
26 22 23 1
27 22 24 1
28 24 25 1
29 23 26 1
30 11 27 1
31 8 28 1
|
|---|
