KEGG   DRUG: Buspirone
Entry
D07593                      Drug                                   
Name
Buspirone (INN);
Gen-Buspirone (TN)
Formula
C21H31N5O2
Exact mass
385.2478
Mol weight
385.50
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01483  5-HT1A-receptor agonist
Remark
Same as: C06861
ATC code: N05BE01
Chemical structure group: DG00913
Product (DG00913): D00702<US>
Efficacy
Antianxiety, Minor tranquilizer, Serotonin 5-HT1A receptor agonist
Comment
Buspirone derivative
Target
HTR1A [HSA:3350] [KO:K04153]
DRD2 [HSA:1813] [KO:K04145]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07030  Anxiolytics
map07211  Serotonin receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05B ANXIOLYTICS
    N05BE Azaspirodecanedione derivatives
     N05BE01 Buspirone
      D07593  Buspirone (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01483  5-HT1A-receptor agonist
   DG00913  Buspirone
    D07593  Buspirone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Dopamine
    DRD2
     D07593  Buspirone (INN)
   Serotonin
    HTR1A
     D07593  Buspirone (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01483  5-HT1A-receptor agonist
   DG00913  Buspirone
Other DBs
CAS: 36505-84-7
PubChem: 51091905
ChEBI: 3223
PDB-CCD: YLX[PDBj]
LigandBox: D07593
NIKKAJI: J19.752A
LinkDB
KCF data

ATOM        28
            1   C1z C    30.3800  -15.6800
            2   C1x C    29.1900  -14.9800
            3   C1x C    30.3800  -17.0800
            4   C5x C    28.0000  -15.6800
            5   C5x C    29.1900  -17.7800
            6   N1y N    28.0000  -17.0800
            7   O5x O    26.7400  -14.9800
            8   O5x O    29.1900  -19.1100
            9   C1b C    26.8100  -17.7800
            10  C1b C    25.5500  -17.0800
            11  C1b C    24.3600  -17.7800
            12  C1b C    23.1700  -17.0800
            13  N1y N    21.9800  -17.8500
            14  C1x C    20.7200  -17.1500
            15  C1x C    21.9800  -19.2500
            16  C1x C    19.5300  -17.8500
            17  C1x C    20.7200  -19.8800
            18  N1y N    19.5300  -19.1800
            19  C8y C    18.3400  -19.8800
            20  N5x N    17.1500  -19.1800
            21  N5x N    18.2700  -21.2800
            22  C8x C    15.8200  -19.8800
            23  C8x C    17.0800  -21.9800
            24  C8x C    15.8200  -21.2800
            25  C1x C    31.7100  -16.1000
            26  C1x C    32.5500  -14.9800
            27  C1x C    31.7100  -13.8600
            28  C1x C    30.3800  -14.2800
BOND        31
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 2
            7     5   8 2
            8     6   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21   20  22 2
            22   21  23 1
            23   22  24 1
            24    5   6 1
            25   17  18 1
            26   23  24 2
            27    1  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31    1  28 1

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