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
     Ocinaplon
      D02617  Ocinaplon (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
96604-21-6
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    20.2300  -24.2200
            2   C8x C    20.2300  -25.6200
            3   N5x N    21.4424  -26.3200
            4   C8y C    22.6549  -25.6200
            5   N4y N    22.6549  -24.2200
            6   C8y C    21.4424  -23.5200
            7   C8y C    23.9864  -26.0526
            8   C8x C    24.8093  -24.9200
            9   N5x N    23.9864  -23.7874
            10  C8y C    21.4424  -22.1202
            11  C8x C    22.6380  -21.4297
            12  C8x C    22.6378  -20.0297
            13  N5x N    21.4253  -19.3299
            14  C8x C    20.2298  -20.0203
            15  C8x C    20.2299  -21.4203
            16  C5a C    24.4175  -27.3794
            17  C8y C    25.8175  -27.3794
            18  O5a O    23.6035  -28.5000
            19  N5x N    26.5166  -28.5901
            20  C8x C    27.9166  -28.5901
            21  C8x C    28.6166  -27.3776
            22  C8x C    27.9175  -26.1669
            23  C8x C    26.5175  -26.1669
BOND        26
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    6  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18    7  16 1
            19   16  17 1
            20   16  18 2
            21   17  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   17  23 1

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