KEGG   DRUG: RiluzoleHelp
Entry
D00775                      Drug                                   

Name
Riluzole (JAN/USAN/INN);
Rilutek (TN)
Product
  Generic
Formula
C8H5F3N2OS
Exact mass
234.0075
Mol weight
234.1983
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cyp substrate
 DG01892  CYP1A2 substrate
Remark
Same as: 
Therapeutic category: 
ATC code: 
Chemical group: 
Efficacy
Nerve cells protectant
  Disease
Amyotrophic lateral sclerosis (ALS) [DS:H00058]
Comment
Amyotrophic lateral sclerosis treatment
Target
GRIN (NMDAR) [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212];
GRIA [HSA:2890 2891 2892 2893] [KO:K05197 K05198 K05199 K05200];
GRIK [HSA:2897 2898 2899 2900 2901] [KO:K05201 K05202 K05203 K05204 K05205];
SCN1A [HSA:6323] [KO:K04833];
SCN2A [HSA:6326] [KO:K04834];
SCN3A [HSA:6328] [KO:K04836];
SCN4A [HSA:6329] [KO:K04837];
SCN5A [HSA:6331] [KO:K04838];
SCN8A [HSA:6334] [KO:K04840];
SCN9A [HSA:6335] [KO:K04841];
SCN10A [HSA:6336] [KO:K04842];
SCN11A [HSA:11280] [KO:K04843]
Metabolism
Enzyme: CYP1A2 [HSA:1544]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07X OTHER NERVOUS SYSTEM DRUGS
    N07XX Other nervous system drugs
     N07XX02 Riluzole
      D00775  Riluzole (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Central Nervous System Agents
  Central Nervous System, Other
   Riluzole
    D00775  Riluzole (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   119  Miscellaneous
    1190  Miscellaneous
     D00775  Riluzole (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Glutamate-gated cation channels
   Glutamate (ionotropic), non-NMDA
    kainate receptor
     Riluzole
      D00775  Riluzole (JAN/USAN/INN)
    AMPA receptor
     Riluzole
      D00775  Riluzole (JAN/USAN/INN)
   Glutamate (ionotropic), NMDA
    N-methyl-D-aspartate receptor
     Riluzole
      D00775  Riluzole (JAN/USAN/INN)
  Voltage-gated cation channels
   Na+ channel, SCN alpha, NaV1.x
    voltage-gated sodium channel (SCN1A)
     Riluzole
      D00775  Riluzole (JAN/USAN/INN)
    voltage-gated sodium channel (SCN2A)
     Riluzole
      D00775  Riluzole (JAN/USAN/INN)
    voltage-gated sodium channel (SCN3A)
     Riluzole
      D00775  Riluzole (JAN/USAN/INN)
    voltage-gated sodium channel (SCN4A)
     Riluzole
      D00775  Riluzole (JAN/USAN/INN)
    voltage-gated sodium channel (SCN5A)
     Riluzole
      D00775  Riluzole (JAN/USAN/INN)
    voltage-gated sodium channel (SCN8A)
     Riluzole
      D00775  Riluzole (JAN/USAN/INN)
    voltage-gated sodium channel (SCN9A)
     Riluzole
      D00775  Riluzole (JAN/USAN/INN)
    voltage-gated sodium channel (SCN10A)
     Riluzole
      D00775  Riluzole (JAN/USAN/INN)
    voltage-gated sodium channel (SCN11A)
     Riluzole
      D00775  Riluzole (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP1A2
   Riluzole
    D00775  Riluzole (JAN/USAN/INN)
Neurological agents [br08367.html]
 Agents for other neurodegenerative diseases
  D00775
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00775
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D00775
BRITE hierarchy
Other DBs
CAS: 
1744-22-5
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        15
            1   C1d C    22.1906  -18.2535
            2   O2a O    23.4014  -17.5492
            3   X   F    20.9739  -17.5492
            4   X   F    22.1849  -19.6507
            5   X   F    20.9739  -18.9405
            6   C8y C    24.6065  -18.2535
            7   C8x C    25.8233  -17.5492
            8   C8x C    24.6065  -19.6507
            9   C8y C    27.0284  -18.2478
            10  C8x C    25.8233  -20.3494
            11  C8y C    27.0343  -19.6507
            12  S2x S    28.3616  -17.8053
            13  N5x N    28.3733  -20.0757
            14  C8y C    29.1882  -18.9346
            15  N1a N    30.5797  -18.8705
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     6   7 2
            7     6   8 1
            8     7   9 1
            9     8  10 2
            10    9  11 2
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14   14  15 1
            15   10  11 1
            16   13  14 2

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