| Entry |
|
|---|
| Name |
Verucerfont (USAN/INN) |
|---|
| Formula |
C22H26N6O2
|
|---|
| Exact mass |
406.2117
|
|---|
| Mol weight |
406.4808
|
|---|
| Structure |
|
|---|
| Efficacy |
Antianxiety, Antidepressant, Corticotropin releasing hormone receptor 1 antagonist |
|---|
| Comment |
Treatment of depression and anxiety
|
|---|
| 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
D09695 Verucerfont (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8y C 16.5218 -15.5620
2 C8x C 16.5218 -16.9664
3 C8y C 17.7380 -17.6686
4 N5x N 18.9544 -16.9664
5 C8y C 18.9544 -15.5620
6 N4y N 17.7380 -14.8598
7 C8y C 19.9981 -14.6222
8 C8y C 19.4269 -13.3391
9 N5x N 18.0300 -13.4860
10 C1a C 17.7380 -19.0729
11 C1a C 20.1330 -12.1164
12 C8y C 21.4105 -14.6410
13 C8y C 22.1060 -15.8841
14 C8x C 23.5104 -15.9031
15 C8y C 24.2289 -14.6963
16 C8x C 23.5334 -13.4533
17 C8x C 22.1291 -13.4343
18 C1a C 21.3836 -17.0967
19 N1b N 15.3055 -14.8598
20 C1c C 14.1062 -15.5523
21 C1b C 12.9150 -14.8647
22 C8y C 14.1061 -16.9661
23 N5x N 12.9883 -17.7785
24 C8y C 13.4155 -19.0925
25 N5x N 14.7973 -19.0923
26 O2x O 15.2241 -17.7782
27 C1a C 12.6051 -20.2083
28 C1a C 11.7201 -15.5549
29 O2a O 25.6199 -14.7151
30 C1a C 26.3429 -13.5011
BOND 33
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 3 10 1
12 8 11 1
13 7 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 13 18 1
21 1 19 1
22 19 20 1
23 20 21 1 #Down
24 20 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 25 26 1
29 22 26 1
30 24 27 1
31 21 28 1
32 15 29 1
33 29 30 1
|
|---|
