KEGG   DRUG: Riluzole
Entry
D00775                      Drug                                   
Name
Riluzole (JAN/USP/INN);
Rilutek (TN)
Product
EXSERVAN (Mitsubishi Tanabe Pharma America), TIGLUTIK (EDW PHARMA)
  Generic
RILUZOLE (Ascend Laboratories), RILUZOLE (AvKARE), RILUZOLE (Glenmark Pharmaceuticals), RILUZOLE (Mylan Pharmaceuticals), RILUZOLE (Quinn Pharmaceuticals), RILUZOLE (Sun Pharmaceutical Industries)
Formula
C8H5F3N2OS
Exact mass
234.0075
Mol weight
234.20
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
Remark
Same as: C07937
Therapeutic category: 1190
ATC code: N07XX02
Product: D00775<JP/US>
Efficacy
Nerve cells protectant
  Disease
Amyotrophic lateral sclerosis [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]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
hsa04728  Dopaminergic synapse
hsa05014  Amyotrophic lateral sclerosis
Metabolism
Enzyme: CYP1A2 [HSA:1544]
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/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Central Nervous System Agents
  Amyotrophic Lateral Sclerosis (ALS) Agents
   Riluzole
    D00775  Riluzole (JAN/USP/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/USP/INN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   D00775  Riluzole
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), non-NMDA
    GRIA
     D00775  Riluzole (JAN/USP/INN) <JP/US>
    GRIK
     D00775  Riluzole (JAN/USP/INN) <JP/US>
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D00775  Riluzole (JAN/USP/INN) <JP/US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D00775
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00775
Other DBs
CAS: 1744-22-5
PubChem: 7847840
ChEBI: 8863
PDB-CCD: 657[PDBj]
LigandBox: D00775
NIKKAJI: J22.921K
LinkDB
KCF data

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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