| Entry |
|
|---|
| Name |
Irdabisant (USAN) |
|---|
| Formula |
C18H23N3O2
|
|---|
| Exact mass |
313.1790
|
|---|
| Mol weight |
313.39
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Nootropic, H3 receptor inverse agonist/antagonist |
|---|
| Comment |
Treatment of cognitive and sleep wake disorders
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH3
D10128 Irdabisant (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C8x C 28.6009 -18.2763
2 C8y C 28.6009 -19.6850
3 N5x N 29.8209 -20.3894
4 N4x N 31.0409 -19.6850
5 C8y C 31.0409 -18.2763
6 C8x C 29.8209 -17.5719
7 O5x O 32.2797 -17.5608
8 C8y C 27.3809 -20.3894
9 C8x C 26.1779 -19.6947
10 C8x C 24.9578 -20.3990
11 C8y C 24.9576 -21.8077
12 C8x C 26.1606 -22.5024
13 C8x C 27.3807 -21.7982
14 O2a O 23.7272 -22.5180
15 C1b C 22.5107 -21.8157
16 C1b C 21.3226 -22.5015
17 C1b C 20.1205 -21.8073
18 N1y N 18.9253 -22.4973
19 C1x C 17.5966 -22.1146
20 C1x C 16.8188 -23.2587
21 C1x C 17.6665 -24.3517
22 C1y C 18.9680 -23.8834
23 C1a C 20.1338 -24.6763
BOND 25
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 5 7 2
8 2 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 11 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 18 22 1
25 22 23 1 #Down
|
|---|
