| Entry |
|
|---|
| Name |
Brilaroxazine (USAN/INN) |
|---|
| Formula |
C22H25Cl2N3O3
|
|---|
| Exact mass |
449.1273
|
|---|
| Mol weight |
450.35
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antipsychotic, Dopamine receptor partial agonist |
|---|
| Comment |
Treatment of schizophrenia
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D12813 Brilaroxazine (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C5x C 7.2800 -18.6900
2 C1x C 7.2800 -17.2900
3 O2x O 8.4700 -16.5900
4 C8y C 9.7300 -17.2900
5 C8y C 9.7300 -18.6900
6 N1x N 8.4700 -19.3900
7 C8x C 10.9200 -16.5900
8 C8x C 12.1100 -17.2900
9 C8y C 12.1100 -18.6900
10 C8x C 10.9200 -19.3900
11 O5x O 6.0900 -19.3900
12 O2a O 13.3000 -19.3900
13 C1b C 14.4900 -18.6900
14 C1b C 15.6800 -19.3900
15 C1b C 16.8700 -18.6900
16 C1b C 18.0600 -19.3900
17 N1y N 19.2500 -18.6900
18 C1x C 19.2500 -17.2900
19 C1x C 20.5100 -16.5900
20 N1y N 21.7000 -17.2900
21 C1x C 21.7000 -18.6900
22 C1x C 20.5100 -19.3900
23 C8y C 22.8900 -16.5900
24 C8x C 22.8900 -15.1900
25 C8x C 24.1500 -14.4900
26 C8x C 25.3400 -15.1900
27 C8y C 25.3400 -16.5900
28 C8y C 24.1500 -17.2900
29 X Cl 24.1500 -18.6900
30 X Cl 26.5300 -17.2900
BOND 33
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 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 1 11 2
13 9 12 1
14 12 13 1
15 13 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 17 22 1
25 20 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 23 28 1
32 28 29 1
33 27 30 1
|
|---|
