KEGG   DRUG: Tedatioxetine hydrobromide
Entry
D10171                      Drug                                   

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
Chemical structure group: DG01311
Efficacy
Antidepressant
Comment
Fluoxetine derivatives, thioether type
Target
SLC18A1 (VMAT1) [HSA:6570] [KO:K08155]
SLC18A2 (VMAT2) [HSA:6571] [KO:K08155]
HTR3 [HSA:3359 9177 170572 200909 285242] [KO:K04819]
HTR2C [HSA:3358] [KO:K04157]
  Pathway
hsa04726  Serotonergic synapse
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
CAS: 960151-65-9
PubChem: 135626889
ChEMBL: CHEMBL2107377
LigandBox: D10171
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

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