| Entry |
|
|---|
| Name |
Adatanserin hydrochloride (USAN) |
|---|
| Formula |
C21H31N5O. HCl
|
|---|
| Exact mass |
405.2295
|
|---|
| Mol weight |
405.9647
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
|
|---|
| Efficacy |
Antianxiety, Antidepressant, Serotonin 5-HT1A receptor agonist, Serotonin 5-HT2 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01483 5-HT1A-receptor agonist
D02767 Adatanserin hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1A
D02767 Adatanserin hydrochloride (USAN)
HTR2
D02767 Adatanserin hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C1z C 18.5331 -14.6639
2 C1x C 17.8402 -16.0497
3 C1y C 17.8402 -17.2969
4 C1y C 17.3551 -16.6040
5 C1y C 19.6417 -16.6040
6 C1x C 16.2465 -17.7126
7 C1x C 18.9488 -18.3363
8 C1x C 17.3551 -15.2875
9 C1x C 18.5331 -17.2276
10 C1x C 19.6417 -15.2875
11 C1b C 20.8203 -13.2088
12 N1b N 19.7117 -12.5852
13 C5a C 18.5338 -13.2781
14 N1y N 23.1762 -13.2088
15 C1b C 21.9983 -12.5159
16 O5a O 17.3280 -12.5950
17 C1x C 23.1762 -14.5946
18 C1x C 24.3763 -15.2875
19 N1y N 25.5765 -14.5946
20 C1x C 25.5765 -13.2088
21 C1x C 24.3763 -12.5159
22 N5x N 26.7766 -16.6733
23 C8y C 26.7766 -15.2875
24 C8x C 27.9767 -17.3662
25 C8x C 29.1769 -16.6733
26 C8x C 29.1769 -15.2875
27 N5x N 27.9767 -14.5946
28 X Cl 32.8075 -15.0103
BOND 31
1 1 2 1
2 2 3 1
3 8 4 1
4 4 9 1
5 9 5 1
6 5 10 1
7 10 1 1
8 1 8 1
9 3 6 1
10 3 7 1
11 4 6 1
12 5 7 1
13 11 12 1
14 12 13 1
15 1 13 1
16 14 15 1
17 11 15 1
18 13 16 2
19 14 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 14 21 1
25 22 23 1
26 19 23 1
27 22 24 2
28 24 25 1
29 25 26 2
30 26 27 1
31 23 27 2
|
|---|
