KEGG   DRUG: ClomethiazoleHelp
Entry
D07330                      Drug                                   

Name
Clomethiazole (INN);
Distraneurine (TN)
Formula
C6H8ClNS
Exact mass
161.0066
Mol weight
161.6524
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: N05CM02
Chemical structure group: DG00923
Efficacy
Sedative-hypnotic
Target
GABRA1 [HSA:2554] [KO:K05175]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CM Other hypnotics and sedatives
     N05CM02 Clomethiazole
      D07330  Clomethiazole (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABRA1
     D07330  Clomethiazole (INN)
BRITE hierarchy
Other DBs
CAS: 533-45-9
PubChem: 51091667
ChEMBL: CHEMBL315795
LigandBox: D07330
NIKKAJI: J6.328B
LinkDB All DBs
KCF data Show

ATOM        9
            1   C8y C    26.1800  -18.4100
            2   C8y C    25.0600  -17.5700
            3   N5x N    23.9400  -18.4100
            4   C8x C    24.3600  -19.7400
            5   S2x S    25.7600  -19.7400
            6   C1a C    25.0600  -16.1700
            7   C1b C    27.3700  -17.7100
            8   C1b C    28.5600  -18.4100
            9   X   Cl   29.7500  -17.7100
BOND        9
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     2   6 1
            7     7   8 1
            8     7   1 1
            9     8   9 1

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