KEGG   DRUG: D08861Help
Entry
D08861                      Drug                                   

Name
Arbaclofen placarbil (USAN/INN)
Formula
C19H26ClNO6
Exact mass
399.1449
Mol weight
399.8658
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of gastro-esophageal reflux disease [GERD] and spasticity
Comment
prodrug, active substance: Baclofen [DR:D00241]
Target
GABA-B receptor agonist [HSA:2550 9568] [KO:K04615]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   GABA
    GABAB-receptor
     Arbaclofen
      D08861  Arbaclofen placarbil (INN/USAN)
BRITE hierarchy
Other DBs
CAS: 
847353-30-4
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C    21.4200  -20.1600
            2   C1c C    21.4200  -18.7600
            3   C8x C    20.2300  -20.8600
            4   C8x C    22.6100  -20.8600
            5   C1b C    20.2300  -18.0600
            6   C1b C    22.6100  -18.0600
            7   C8x C    20.2300  -22.2600
            8   C8x C    22.6100  -22.2600
            9   C6a C    19.0400  -18.7600
            10  N1b N    23.8700  -18.7600
            11  C8y C    21.4200  -22.9600
            12  O6a O    17.7800  -18.0600
            13  O6a O    19.0400  -20.1600
            14  X   Cl   21.4200  -24.3600
            15  C7a C    25.0600  -18.0600
            16  O7a O    26.3200  -18.6900
            17  O6a O    25.0600  -16.6600
            18  C1c C    27.5100  -17.9900
            19  O7a O    28.7700  -18.6200
            20  C1c C    27.5100  -16.5900
            21  C1a C    26.2500  -15.8900
            22  C1a C    28.7000  -15.8900
            23  C7a C    29.9600  -17.9200
            24  C1c C    31.2200  -18.6200
            25  O6a O    29.9600  -16.5200
            26  C1a C    32.4100  -17.8500
            27  C1a C    31.2200  -20.0200
BOND        27
            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
            15   10  15 1
            16   15  16 1
            17   15  17 2
            18   16  18 1
            19   18  19 1
            20   18  20 1 #Up
            21   20  21 1
            22   20  22 1
            23   19  23 1
            24   23  24 1
            25   23  25 2
            26   24  26 1
            27   24  27 1

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