KEGG   DRUG: TedatioxetineHelp
Entry
D10170                      Drug                                   

Name
Tedatioxetine (USAN)
Formula
C18H21NS
Exact mass
283.1395
Mol weight
283.431
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
     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)
BRITE hierarchy
Other DBs
CAS: 508233-95-2
PubChem: 135626888
ChEMBL: CHEMBL2104986
LigandBox: D10170
LinkDB All DBs
KCF data Show

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

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