KEGG   DRUG: Acamprosate
Entry
D07058                      Drug                                   
Name
Acamprosate (INN);
Aotal (TN)
Formula
C5H11NO4S
Exact mass
181.0409
Mol weight
181.2101
Structure
Class
Neuropsychiatric agent
 DG01498  NMDA receptor antagonist
Remark
ATC code: N07BB03
Chemical structure group: DG00996
Product (DG00996): D02780<JP/US>
Efficacy
Antialcohol dependence, NMDA receptor antagonist
Comment
Alcohol withdrawal agent
Target
GRIN (NMDAR) [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
hsa04728  Dopaminergic synapse
hsa05034  Alcoholism
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BB Drugs used in alcohol dependence
     N07BB03 Acamprosate
      D07058  Acamprosate (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01498  NMDA receptor antagonist
   DG00996  Acamprosate
    D07058  Acamprosate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D07058  Acamprosate (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01498  NMDA receptor antagonist
   DG00996  Acamprosate
Other DBs
CAS: 77337-76-9
PubChem: 51091400
ChEBI: 51041
LigandBox: D07058
NIKKAJI: J309.380H
KCF data

ATOM        11
            1   C1a C    26.3833  -17.1326
            2   C5a C    27.5817  -17.8244
            3   N1b N    28.7800  -17.1326
            4   C1b C    29.9783  -17.8244
            5   C1b C    31.1766  -17.1326
            6   C1b C    32.3750  -17.8244
            7   S4a S    33.5734  -17.1326
            8   O5a O    27.5817  -19.2082
            9   O1d O    34.7858  -17.8327
            10  O1d O    34.7858  -16.4326
            11  O1d O    32.3609  -16.4326
BOND        10
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   8 2
            8     7   9 1
            9     7  10 2
            10    7  11 2

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Ontology (3)   
   KEGG BRITE (3)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (10)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (5)   
   NIKKAJI (1)   
Gene (10)   
   KEGG ORTHOLOGY (5)   
   KEGG GENES (5)   
All databases (26)   

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