KEGG   DRUG: Tiospirone hydrochlorideHelp
Entry
D02688                      Drug                                   

Name
Tiospirone hydrochloride (USAN)
Formula
C24H32N4O2S. HCl
Exact mass
476.2013
Mol weight
477.0624
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01478  Dopamine antagonist
  DG01474  Dopamine D2-receptor antagonist
Efficacy
Antipsychotic
Comment
Buspirone derivative
Target
HTR2 [HSA:3356 3357 3358] [KO:K04157]
DRD2 [HSA:1813] [KO:K04145]
HTR1A [HSA:3350] [KO:K04153]
HTR6 [HSA:3362] [KO:K04162]
SIGMAR1 [HSA:10280] [KO:K20719]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D02688  Tiospirone hydrochloride (USAN)
   Serotonin
    HTR1A
     D02688  Tiospirone hydrochloride (USAN)
    HTR2
     D02688  Tiospirone hydrochloride (USAN)
    HTR6
     D02688  Tiospirone hydrochloride (USAN)
 Transporters
  Other transporters
   Auxiliary transport proteins (TC:8.A)
    SIGMAR1
     D02688  Tiospirone hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 87691-92-7
PubChem: 17396857
ChEMBL: CHEMBL1204189
LigandBox: D02688
NIKKAJI: J400.143E
KCF data Show

ATOM        32
            1   C1x C    12.3110  -16.5074
            2   N1y N    12.3110  -17.9064
            3   C1x C    13.5001  -18.6058
            4   C1x C    14.7591  -17.9064
            5   N1y N    14.7591  -16.5074
            6   C1x C    13.5001  -15.8080
            7   C8y C    11.1220  -18.6058
            8   C8y C     9.8629  -18.0462
            9   C8y C     8.8837  -19.0954
            10  S2x S     9.5832  -20.2845
            11  N5x N    10.9821  -20.0047
            12  C8x C     9.3733  -16.7173
            13  C8x C     8.0443  -16.4375
            14  C8x C     7.1351  -17.4167
            15  C8x C     7.5547  -18.7457
            16  C1b C    15.9482  -15.8080
            17  C1b C    17.2072  -16.5074
            18  C1b C    18.3963  -15.8080
            19  C1b C    19.5854  -16.5074
            20  N1y N    20.8444  -15.8080
            21  C5x C    22.0335  -16.5074
            22  C1x C    23.2925  -15.8080
            23  C1z C    23.2915  -14.4109
            24  C1x C    22.0335  -13.7096
            25  C5x C    20.8444  -14.4091
            26  C1x C    24.6010  -14.8392
            27  C1x C    25.4682  -13.6957
            28  C1x C    24.6512  -12.5841
            29  C1x C    23.2881  -13.0050
            30  O5x O    19.6456  -13.7234
            31  O5x O    22.0159  -17.9196
            32  X   Cl   24.7572  -19.3774
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12    7  11 2
            13    8  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17    9  15 1
            18    5  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   20  25 1
            29   23  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   23  29 1
            34   25  30 2
            35   21  31 2

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