KEGG   DRUG: TofisopamHelp
Entry
D01254                      Drug                                   

Name
Tofisopam (JP17/INN);
Emandaxin (TN)
Formula
C22H26N2O4
Exact mass
382.1893
Mol weight
382.4528
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01567  GABA-A receptor agonist
 DG01914  Anxiolytics, benzodiazepine derivatives
Cyp substrate
 DG01633  CYP3A substrate
Cyp inhibitor
 DG01522  CYP3A4 inhibitor
Remark
Therapeutic category: 1124 1239
ATC code: N05BA23
Product: D01254<JP>
Efficacy
Antianxiety, Sedative-hypnotic
Comment
Benzodiazepine derivative
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Drug interaction
Structure map
map07030  Anxiolytics
map07117  Benzodiazepine family
map07230  GABA-A receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05B ANXIOLYTICS
    N05BA Benzodiazepine derivatives
     N05BA23 Tofisopam
      D01254  Tofisopam (JP17/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   112  Hypnotics and sedatives, anxiolytics
    1124  Benzodiazepins
     D01254  Tofisopam (JP17/INN)
  12  Agents affecting peripheral nervous system
   123  Autonomic nervous system agents
    1239  Others
     D01254  Tofisopam (JP17/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D01254  Tofisopam (JP17/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01254  Tofisopam
Drug classes of therapeutic agents [br08360.html]
 Psychiatric agents
  D01254
BRITE hierarchy
Other DBs
CAS: 22345-47-7
PubChem: 7848317
ChEBI: 32241
ChEMBL: CHEMBL404216
LigandBox: D01254
NIKKAJI: J11.504E
KCF data Show

ATOM        28
            1   C2y C    29.4618  -15.1158
            2   C8y C    28.6220  -14.0661
            3   C8y C    28.9719  -12.6665
            4   C1y C    30.2316  -12.1066
            5   N2x N    30.8614  -15.1158
            6   C2y C    31.4912  -12.7364
            7   N2x N    31.7711  -14.0661
            8   C8x C    27.9922  -11.6867
            9   C8y C    26.5926  -12.1066
            10  C8y C    26.3127  -13.4362
            11  C8x C    27.2924  -14.4160
            12  C1a C    32.5409  -11.7567
            13  C8y C    28.8319  -16.3754
            14  C8x C    27.4323  -16.3754
            15  C1b C    30.2316  -10.7070
            16  C1a C    31.4912  -10.0072
            17  O2a O    25.6128  -11.1269
            18  C1a C    24.2832  -11.5468
            19  C1a C    23.9333  -12.8764
            20  O2a O    24.9130  -13.8561
            21  C8y C    26.7325  -17.6351
            22  C8y C    27.4323  -18.8247
            23  C8x C    28.8319  -18.8247
            24  C8x C    29.5318  -17.6351
            25  O2a O    25.3329  -17.6351
            26  C1a C    24.6331  -18.8247
            27  C1a C    25.3329  -20.0144
            28  O2a O    26.7325  -20.0144
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
            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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