KEGG   DRUG: Tedatioxetine hydrobromideHelp
Entry
D10171                      Drug                                   

Name
Tedatioxetine hydrobromide (USAN)
Formula
C18H21NS. HBr
Exact mass
363.0656
Mol weight
364.343
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug 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)
BRITE hierarchy
Other DBs
CAS: 960151-65-9
PubChem: 135626889
ChEMBL: CHEMBL2107377
LigandBox: D10171
LinkDB All DBs
KCF data Show

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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