KEGG   DRUG: D02594Help
Entry
D02594                      Drug                                   

Name
Abecarnil (INN)
Formula
C24H24N2O4
Exact mass
404.1736
Mol weight
404.4584
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anxiolytic
Comment
carboline derivative
Target
GABAA-receptor (benzodiazepine binding site) partial agonist [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  
 
Structure map
Anxiolytics
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   GABA-A
    GABAA-receptor (benzodiazepine binding site) [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]
     Abecarnil
      D02594  Abecarnil (INN)
BRITE hierarchy
Other DBs
CAS: 
111841-85-1
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8y C    19.4600  -15.2600
            2   C8x C    19.4600  -16.6600
            3   C8x C    20.6724  -17.3600
            4   C8y C    21.8849  -16.6600
            5   C8y C    21.8849  -15.2600
            6   C8x C    20.6724  -14.5600
            7   N4x N    23.2164  -17.0926
            8   C8y C    24.0393  -15.9600
            9   C8y C    23.2164  -14.8274
            10  C8x C    25.4316  -15.8137
            11  N5x N    26.0010  -14.5347
            12  C8y C    25.1781  -13.4021
            13  C8y C    23.7858  -13.5484
            14  C1b C    22.9827  -12.4433
            15  O2a O    21.5662  -12.5921
            16  C1a C    20.7450  -11.4617
            17  C7a C    25.7629  -12.0881
            18  O7a O    27.1499  -11.9422
            19  O6a O    24.9492  -10.9687
            20  C1c C    27.9897  -13.0976
            21  C1a C    29.3930  -12.9499
            22  C1a C    27.4251  -14.3665
            23  O2a O    18.2476  -14.5600
            24  C1b C    17.0521  -15.2504
            25  C8y C    15.8647  -14.5649
            26  C8x C    15.8646  -13.1602
            27  C8x C    14.6521  -12.4603
            28  C8x C    13.4397  -13.1605
            29  C8x C    13.4399  -14.5652
            30  C8x C    14.6524  -15.2651
BOND        33
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15    9  13 2
            16   13  14 1
            17   14  15 1
            18   15  16 1
            19   12  17 1
            20   17  18 1
            21   17  19 2
            22   18  20 1
            23   20  21 1
            24   20  22 1
            25    1  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1

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