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 [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879] [KO:K05175 K05176 K05177 K05178 K05179 K05180 K05181 K05182 K05183 K05184 K05185 K05186 K05187 K05188 K05189 K05192]
     Pagoclone
      D02616  Pagoclone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
133737-32-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        29
            1   C5a C    29.2337  -17.9833
            2   C1b C    28.0440  -17.2963
            3   C1b C    26.8538  -17.9835
            4   C1c C    25.6639  -17.2964
            5   O5a O    29.2336  -19.3898
            6   C1a C    24.4738  -17.9835
            7   C1a C    25.6638  -15.8902
            8   C8x C    26.6664  -14.0652
            9   C8x C    26.6664  -15.4649
            10  C8x C    27.8784  -16.1647
            11  C8y C    29.0906  -15.4649
            12  C8y C    29.0906  -14.0652
            13  C8x C    27.8784  -13.3654
            14  C1y C    30.4217  -15.8973
            15  N1y N    31.2444  -14.7650
            16  C5x C    30.4217  -13.6328
            17  O5x O    30.8527  -12.3063
            18  C8y C    32.6147  -14.7650
            19  C8x C    33.3146  -15.9771
            20  C8x C    34.7142  -15.9771
            21  C8y C    35.4140  -14.7650
            22  C8y C    34.7142  -13.5530
            23  N5x N    33.3146  -13.5530
            24  C8x C    36.8136  -14.7650
            25  C8x C    37.5134  -13.5530
            26  C8y C    36.8136  -12.3408
            27  N5x N    35.4140  -12.3408
            28  X   Cl   37.5244  -11.1100
            29  C1b C    30.4217  -17.2973
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   5 2
            5     4   6 1
            6     4   7 1
            7     8   9 2
            8     9  10 1
            9    10  11 2
            10   11  12 1
            11   12  13 2
            12    8  13 1
            13   11  14 1
            14   14  15 1
            15   15  16 1
            16   12  16 1
            17   16  17 2
            18   15  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   18  23 1
            25   21  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   26  28 1
            31   14  29 1
            32    1  29 1

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