KEGG   DRUG: Arbaclofen
Entry
D09791                      Drug                                   
Name
Arbaclofen (USAN)
Formula
C10H12ClNO2
Exact mass
213.0557
Mol weight
213.6608
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01565  GABA-B receptor agonist
Remark
Same as: C21605
Chemical structure group: DG01354
Efficacy
Muscle relaxant, GABA-B receptor agonist
Comment
Treatment of fragile X syndrome and autism
Target
GABBR [HSA:2550 9568] [KO:K04615]
  Pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01565  GABA-B receptor agonist
   DG01354  Arbaclofen
    D09791  Arbaclofen
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   GABA (metabotropic)
    GABBR
     D09791  Arbaclofen (USAN)
Prodrugs [br08324.html]
 D09791
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01565  GABA-B receptor agonist
   DG01354  Arbaclofen
Other DBs
CAS: 69308-37-8
PubChem: 124490531
ChEBI: 190735
PDB-CCD: 2C0[PDBj]
LigandBox: D09791
LinkDB
KCF data

ATOM        14
            1   C8y C    25.6900  -19.0400
            2   C1c C    25.6900  -17.6400
            3   C8x C    24.5000  -19.7400
            4   C8x C    26.8800  -19.7400
            5   C1b C    24.5000  -16.9400
            6   C1b C    26.8800  -16.9400
            7   C8x C    24.5000  -21.1400
            8   C8x C    26.8800  -21.1400
            9   C6a C    23.3100  -17.6400
            10  N1a N    28.1400  -17.6400
            11  C8y C    25.6900  -21.8400
            12  O6a O    22.0500  -16.9400
            13  O6a O    23.3100  -19.0400
            14  X   Cl   25.6900  -23.2400
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    9  12 1
            12    9  13 2
            13   11  14 1
            14    8  11 2

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