| Entry |
|
|---|
| Name |
Ralmitaront (USAN/INN) |
|---|
| Formula |
C17H22N4O2
|
|---|
| Exact mass |
314.1743
|
|---|
| Mol weight |
314.38
|
|---|
| Structure |
|
|---|
| Efficacy |
Antipsychotic, Trace amine associated receptor 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
Trace amine
TAAR
D11830 Ralmitaront (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 O2x O 21.5600 -11.3400
2 C1y C 21.5600 -12.7400
3 C1x C 22.7724 -13.4400
4 N1x N 23.9849 -12.7400
5 C1x C 23.9849 -11.3400
6 C1x C 22.7724 -10.6400
7 C8y C 20.3476 -13.4400
8 C8x C 19.1521 -12.7496
9 C8x C 17.9396 -13.4495
10 C8y C 17.9394 -14.8495
11 C8x C 19.1349 -15.5399
12 C8x C 20.3474 -14.8400
13 N1b N 16.7166 -15.5554
14 C5a C 16.7167 -16.9399
15 O5a O 17.9392 -17.6456
16 C8y C 15.5143 -17.6343
17 N5x N 14.2066 -17.2134
18 N4x N 13.3997 -18.3258
19 C8y C 14.2083 -19.4369
20 C8y C 15.5149 -19.0113
21 C1a C 16.6782 -19.8551
22 C1b C 13.7700 -20.7890
23 C1a C 12.4197 -21.0771
BOND 25
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 2 7 1 #Down
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 10 13 1
15 13 14 1
16 14 15 2
17 14 16 1
18 16 17 2
19 17 18 1
20 18 19 1
21 19 20 2
22 16 20 1
23 20 21 1
24 19 22 1
25 22 23 1
|
|---|
