KEGG   DRUG: D02616Help
Entry
D02616                      Drug                                   

Name
Pagoclone (USAN/INN);
Bextra (TN)
Formula
C23H22ClN3O2
Exact mass
407.1401
Mol weight
407.8927
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-anxiety agent
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse  
 
Structure map
Anxiolytics
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   GABA-A
    GABAA-receptor
     Pagoclone
      D02616  Pagoclone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
133737-32-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   C8x C     7.9100  -17.0800
            2   C8x C     7.9100  -18.4800
            3   C8x C     9.1700  -19.1800
            4   C8y C    10.3600  -18.4800
            5   C8y C    10.3600  -17.0800
            6   C8x C     9.1700  -16.3800
            7   C1y C    11.6900  -18.9000
            8   N1y N    12.5300  -17.7800
            9   C5x C    11.6900  -16.5900
            10  O5x O    12.1100  -15.2600
            11  C8y C    13.8600  -17.7800
            12  C8x C    14.5600  -18.9700
            13  C8x C    15.9600  -18.9700
            14  C8y C    16.7300  -17.7800
            15  C8y C    15.9600  -16.5200
            16  N5x N    14.5600  -16.5200
            17  C8x C    18.1300  -17.7800
            18  C8x C    18.8300  -16.5200
            19  C8y C    18.1300  -15.3300
            20  N5x N    16.7300  -15.3300
            21  X   Cl   18.8300  -14.0700
            22  C1b C    11.6900  -20.3000
            23  C5a C    12.9053  -20.9951
            24  O5a O    14.0937  -20.3023
            25  C1b C    12.9111  -22.3997
            26  C1b C    14.1029  -23.0815
            27  C1c C    14.0390  -24.4995
            28  C1a C    12.8207  -25.1318
            29  C1a C    15.2408  -25.2677
BOND        32
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    9  10 2
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   15  20 1
            24   19  21 1
            25    7  22 1
            26   22  23 1
            27   23  24 2
            28   23  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 1

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