| Entry |
|
|---|
| Name |
Tedatioxetine (USAN) |
|---|
| Formula |
C18H21NS
|
|---|
| Exact mass |
283.1395
|
|---|
| Mol weight |
283.43
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidepressant |
|---|
| Comment |
Fluoxetine derivatives, thioether type
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG01311 Tedatioxetine
D10170 Tedatioxetine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR2C
D10170 Tedatioxetine (USAN)
Ion channels
Ligand-gated ion channels
Serotonin
HTR3
D10170 Tedatioxetine (USAN)
Transporters
Solute carrier family
SLC18
SLC18A1 (VMAT1)
D10170 Tedatioxetine (USAN)
SLC18A2 (VMAT2)
D10170 Tedatioxetine (USAN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01489 5-HT3-receptor antagonist
DG01311 Tedatioxetine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 C8x C 14.1400 -15.2600
2 C8x C 14.1400 -16.6600
3 C8y C 15.3300 -17.3600
4 C8y C 16.5900 -16.6600
5 C8x C 16.5900 -15.2600
6 C8x C 15.3300 -14.5600
7 S2a S 15.3300 -18.7600
8 C8y C 14.1400 -19.4600
9 C8x C 12.9500 -18.7600
10 C8x C 11.6900 -19.4600
11 C8y C 11.6900 -20.8600
12 C8x C 12.8800 -21.5600
13 C8x C 14.1400 -20.8600
14 C1y C 17.7800 -17.3600
15 C1x C 17.7800 -18.7600
16 C1x C 19.0400 -19.4600
17 N1x N 20.2300 -18.7600
18 C1x C 20.2300 -17.3600
19 C1x C 19.0400 -16.6600
20 C1a C 10.5000 -21.5600
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
|
|---|
