KEGG   DRUG: D02617Help
Entry
D02617                      Drug                                   

Name
Ocinaplon (USAN/INN)
Formula
C17H11N5O
Exact mass
301.0964
Mol weight
301.3021
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]
     Ocinaplon
      D02617  Ocinaplon (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
96604-21-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        23
            1   C8x C    31.2200   -6.5800
            2   C8x C    31.2200   -7.9800
            3   C8x C    32.4100   -8.6800
            4   C8x C    33.6700   -7.9800
            5   C8y C    33.6700   -6.5800
            6   N5x N    32.4100   -5.8800
            7   C8x C    36.0500   -7.9800
            8   C8y C    36.0500   -6.5800
            9   C5a C    34.8600   -5.8800
            10  N5x N    37.3800   -8.4000
            11  N4y N    38.2200   -7.2800
            12  C8y C    37.3800   -6.1600
            13  O5a O    34.8600   -4.4800
            14  C8y C    39.6200   -7.2800
            15  C8y C    40.3200   -8.4924
            16  C8x C    40.3200   -6.0676
            17  C8x C    39.6296   -4.8721
            18  N5x N    38.2203   -4.8720
            19  C8x C    39.6296   -9.6879
            20  C8x C    40.3295  -10.9004
            21  N5x N    41.7295  -10.9006
            22  C8x C    42.4199   -9.7051
            23  C8x C    41.7200   -8.4926
BOND        26
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 1
            13    8  12 2
            14    9  13 2
            15   11  14 1
            16   14  15 1
            17   14  16 2
            18   16  17 1
            19   17  18 2
            20   18  12 1
            21   15  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   15  23 1

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