KEGG   DRUG: D03737Help
Entry
D03737                      Drug                                   

Name
Dextofisopam (USAN/INN)
Formula
C22H26N2O4
Exact mass
382.1893
Mol weight
382.4528
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of irritable bowel syndrome, Crohn's disease;
Anti-anxiety, anti-stress
Comment
See Tofisopam [DR:D01254]
Target
GABAA-receptor (benzodiazepine binding site) 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  
 
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   GABA-A
    GABAA-receptor (benzodiazepine binding site)
     Dextofisopam
      D03737  Dextofisopam (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
82059-50-5
PubChem: 
LigandBox: 
KCF data Show

ATOM        28
            1   C2y C    23.6534  -14.9894
            2   C8y C    22.8113  -13.8798
            3   C8y C    23.1465  -12.5230
            4   C1y C    24.4075  -11.9449
            5   N2x N    25.0592  -15.0146
            6   C2y C    25.6611  -12.5672
            7   N2x N    25.9476  -13.9359
            8   C8x C    22.1394  -11.5546
            9   C8y C    20.7974  -11.9427
            10  C8y C    20.4622  -13.2995
            11  C8x C    21.4693  -14.2676
            12  C1a C    26.7052  -11.6328
            13  C8y C    23.0189  -16.2391
            14  C8x C    21.6173  -16.2391
            15  C1b C    24.4292  -10.5700
            16  C1a C    25.6532   -9.8889
            17  O2a O    19.7883  -10.9723
            18  C1a C    18.4433  -11.3611
            19  C1a C    18.1081  -12.7179
            20  O2a O    19.1173  -13.6883
            21  C8y C    20.9173  -17.4516
            22  C8y C    21.6173  -18.6640
            23  C8x C    23.0189  -18.6640
            24  C8x C    23.7189  -17.4516
            25  O2a O    19.5173  -17.4516
            26  C1a C    18.8173  -18.6640
            27  C1a C    19.5173  -19.8764
            28  O2a O    20.9173  -19.8764
BOND        30
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    6  12 1
            14    1  13 1
            15   13  14 1
            16    4  15 1 #Up
            17   15  16 1
            18    9  17 1
            19   17  18 1
            20   19  20 1
            21   10  20 1
            22   14  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   13  24 2
            27   21  25 1
            28   25  26 1
            29   27  28 1
            30   22  28 1

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