| Entry |
|
|---|
| Name |
Tedatioxetine hydrobromide (USAN) |
|---|
| Formula |
C18H21NS. HBr
|
|---|
| Exact mass |
363.0656
|
|---|
| Mol weight |
364.343
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Other
DG01489 5-HT3-receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidepressant |
|---|
| Comment |
Fluoxetine derivatives, thioether type
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR2C
D10171 Tedatioxetine hydrobromide (USAN)
Ion channels
Ligand-gated ion channels
Serotonin
HTR3
D10171 Tedatioxetine hydrobromide (USAN)
Transporters
Solute carrier family
SLC18
SLC18A1 (VMAT1)
D10171 Tedatioxetine hydrobromide (USAN)
SLC18A2 (VMAT2)
D10171 Tedatioxetine hydrobromide (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 C8x C 21.8400 -20.0200
2 C8x C 21.8400 -21.4200
3 C8y C 22.9600 -22.1200
4 C8y C 24.2200 -21.4200
5 C8x C 24.2200 -20.0200
6 C8x C 22.9600 -19.3900
7 S2a S 22.9600 -23.5200
8 C8y C 21.8400 -24.2200
9 C8x C 20.6500 -23.5200
10 C8x C 19.3900 -24.2200
11 C8y C 19.3900 -25.6200
12 C8x C 20.5800 -26.3200
13 C8x C 21.8400 -25.6200
14 C1y C 25.4100 -22.1200
15 C1x C 25.4100 -23.5200
16 C1x C 26.6700 -24.2200
17 N1x N 27.8600 -23.5200
18 C1x C 27.8600 -22.1200
19 C1x C 26.6700 -21.4200
20 C1a C 18.2000 -26.3200
21 X Br 28.1400 -26.4600
BOND 22
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 3 7 1
8 7 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 4 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 11 20 1
|
|---|
