acamprosate

Ligand id: 7106

Name: acamprosate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 95.34
Molecular weight 181.04
XLogP -0.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2004))
IUPAC Name
N-(3-sulfopropyl)ethanimidic acid
International Nonproprietary Names
INN number INN
6473 acamprosate
Synonyms
Campral®
Database Links
CAS Registry No. 77337-76-9
ChEBI CHEBI:51041
ChEMBL Ligand CHEMBL1201293
DrugBank Ligand DB00659
PubChem CID 71158
Search Google for chemical match using the InChIKey AFCGFAGUEYAMAO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AFCGFAGUEYAMAO
Search PubMed clinical trials acamprosate
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Search UniChem for chemical match using the InChIKey AFCGFAGUEYAMAO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AFCGFAGUEYAMAO
Wikipedia acamprosate
Comments
Acamprosate is a NMDA glutamate receptor antagonist and a positive allosteric modulator of GABAA receptors.
Marketed formulations contain acamprosate calcium (PubChem CID 155434).