KEGG   DRUG: D01992Help
Entry
D01992                      Drug                                   

Name
Tandospirone citrate (JAN/USAN);
SM 3997;
Sediel (TN)
Formula
C21H29N5O2. C6H8O7
Exact mass
575.2591
Mol weight
575.6108
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-anxiety agent
Remark
Therapeutic category: 
Target
5-HT1A-receptor agonist [HSA:3350] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Interaction
Drug interaction
Structure map
Anxiolytics
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)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT1A-receptor [HSA:3350] [KO:K04153]
     Tandospirone
      D01992  Tandospirone citrate (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
112457-95-1
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

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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