KEGG   DRUG: D08840Help
Entry
D08840                      Drug                                   

Name
Adipiplon (USAN)
Formula
C18H18FN7
Exact mass
351.1608
Mol weight
351.3808
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Sedative-hypnotic
Target
GABAA-receptor positive allosteric modulator [HSA:2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 55879] [KO:K05175 K05181 K05184 K05185 K05186 K05189 K05192]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse  
 
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]
     Adipiplon
      D08840  Adipiplon (USAN)
BRITE hierarchy
Other DBs
CAS: 
840486-93-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        26
            1   N5x N    20.0200  -15.5400
            2   C8y C    20.0200  -16.9400
            3   C8y C    21.2324  -17.6400
            4   C8y C    22.4449  -16.9400
            5   N4y N    22.4449  -15.5400
            6   C8x C    21.2324  -14.8400
            7   N5x N    23.7764  -17.3726
            8   C8y C    24.5993  -16.2400
            9   N5x N    23.7764  -15.1074
            10  C1a C    25.9700  -16.2400
            11  C1b C    21.2324  -19.0398
            12  C1b C    18.8076  -17.6400
            13  N4y N    17.6121  -16.9496
            14  C8x C    17.4651  -15.5510
            15  C8x C    16.0895  -15.2585
            16  N5x N    15.3863  -16.4764
            17  C8y C    16.3273  -17.5216
            18  C8y C    16.0396  -18.8736
            19  N5x N    14.6917  -19.3110
            20  C8x C    14.4000  -20.6803
            21  C8x C    15.4401  -21.6175
            22  C8x C    16.7880  -21.1801
            23  C8y C    17.0796  -19.8108
            24  X   F    18.4119  -19.3786
            25  C1b C    22.4448  -19.7398
            26  C1a C    23.6759  -19.0288
BOND        29
            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    8  10 1
            12    3  11 1
            13    2  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   13  17 1
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   18  23 1
            27   23  24 1
            28   11  25 1
            29   25  26 1

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