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
Neuroactive ligand-receptor interaction
GABAergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   GABA-A
    GABAA-receptor
     Adipiplon
      D08840  Adipiplon (USAN)
BRITE hierarchy
Other DBs
CAS: 
840486-93-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        26
            1   N5x N    18.3400   -3.8500
            2   C8y C    18.3400   -5.2500
            3   C8y C    19.5300   -5.9500
            4   C8y C    20.7200   -5.2500
            5   N4y N    20.7200   -3.8500
            6   C8x C    19.5300   -3.1500
            7   N5x N    22.0500   -5.6700
            8   C8y C    22.8900   -4.5500
            9   N5x N    22.0500   -3.4300
            10  C1a C    24.2900   -4.5500
            11  C1b C    19.5300   -7.3500
            12  C1b C    17.1500   -5.9500
            13  N4y N    15.8900   -5.2500
            14  C8x C    15.4844   -3.8327
            15  C8x C    14.1254   -3.8827
            16  N5x N    13.6663   -5.1847
            17  C8y C    14.7606   -6.0410
            18  C8y C    14.7406   -7.4000
            19  N5x N    13.5290   -8.1357
            20  C8x C    13.5090   -9.4947
            21  C8x C    14.6586  -10.2688
            22  C8x C    15.9388   -9.5197
            23  C8y C    15.9588   -8.1607
            24  X   F    17.1838   -7.4937
            25  C1b C    20.7200   -8.0500
            26  C1a C    21.9800   -7.3500
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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