KEGG   DRUG: Tandospirone citrate
Entry
D01992                      Drug                                   
Name
Tandospirone citrate (JAN/USAN);
SM 3997;
Sediel (TN)
Formula
C21H29N5O2. C6H8O7
Exact mass
575.2591
Mol weight
575.6108
Structure
Class
Neuropsychiatric agent
 DG01483  5-HT1A-receptor agonist
Remark
Therapeutic category: 1129
Chemical structure group: DG01306
Product (DG01306): D01992<JP>
Efficacy
Antianxiety, Serotonin 5-HT1A receptor agonist
Comment
Busupirone derivative
Target
HTR1A [HSA:3350] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Interaction
Structure map
map07030  Anxiolytics
map07211  Serotonin receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   112  Hypnotics and sedatives, anxiolytics
    1129  Others
     D01992  Tandospirone citrate (JAN/USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01483  5-HT1A-receptor agonist
   DG01306  Tandospirone
    D01992  Tandospirone citrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1A
     D01992  Tandospirone citrate (JAN/USAN) <JP>
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01483  5-HT1A-receptor agonist
   DG01306  Tandospirone
Other DBs
CAS: 112457-95-1
PubChem: 7849054
ChEBI: 32182
LigandBox: D01992
NIKKAJI: J354.314E
KCF data

ATOM        41
            1   C1d C    38.3679  -18.1597
            2   C1b C    37.1577  -18.8115
            3   C1b C    39.5782  -18.8115
            4   C6a C    39.0662  -16.9029
            5   O1a O    37.6697  -16.9029
            6   C6a C    35.9473  -18.1597
            7   C6a C    39.5782  -20.2079
            8   O6a O    38.3679  -15.6926
            9   O6a O    40.4627  -16.9029
            10  O6a O    34.7372  -18.8580
            11  O6a O    40.7886  -20.9062
            12  O6a O    38.3679  -20.9062
            13  O6a O    35.9973  -16.7712
            14  C1b C    29.5688  -15.5093
            15  C1b C    28.3586  -14.8113
            16  C1b C    27.1483  -15.5093
            17  C1b C    25.9381  -14.8113
            18  N1y N    24.7277  -15.5093
            19  C1x C    24.7277  -16.9059
            20  C1x C    23.5174  -17.6040
            21  N1y N    22.3072  -16.9059
            22  C1x C    22.3072  -15.5093
            23  C1x C    23.5174  -14.8113
            24  C8y C    21.1435  -17.6040
            25  N5x N    21.1435  -19.0005
            26  C8x C    19.9332  -19.6988
            27  C8x C    18.7229  -19.0005
            28  C8x C    18.7229  -17.6040
            29  N5x N    19.9332  -16.9059
            30  C1x C    35.4390  -14.0266
            31  C1x C    35.4550  -15.4236
            32  C1y C    34.2535  -16.1368
            33  C1y C    33.0359  -15.4530
            34  C1y C    33.0199  -14.0560
            35  C1y C    34.2215  -13.3427
            36  C5x C    31.7227  -15.8899
            37  N1y N    30.8599  -14.7647
            38  C5x C    31.6883  -13.5749
            39  O5x O    31.2921  -12.2845
            40  O5x O    31.3280  -17.1631
            41  C1x C    33.8444  -14.6792
BOND        44
            1     1   3 1
            2     1   4 1
            3     1   5 1
            4     2   6 1
            5     3   7 1
            6     4   8 1
            7     4   9 2
            8     6  10 1
            9     7  11 1
            10    7  12 2
            11    1   2 1
            12    6  13 2
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  23 1
            22   18  23 1
            23   21  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 2
            29   24  29 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   30  35 1
            36   36  37 1
            37   37  38 1
            38   34  38 1
            39   38  39 2
            40   36  40 2
            41   35  41 1 #Down
            42   32  41 1 #Down
            43   33  36 1
            44   14  37 1

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Ontology (3)   
   KEGG BRITE (3)   
Pathway (2)   
   KEGG PATHWAY (2)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (12)   

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