disulfiram

Ligand id: 7168

Name: disulfiram

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 121.26
Molecular weight 296.05
XLogP 3.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1951))
IUPAC Name
N,N-diethyl[(diethylcarbamothioyl)disulfanyl]carbothioamide
International Nonproprietary Names
INN number INN
1781 disulfiram
Synonyms
Antabuse® | NSC-25953
Database Links
CAS Registry No. 97-77-8
ChEMBL Ligand CHEMBL964
DrugBank Ligand DB00822
GtoPdb PubChem SID 178103743
PubChem CID 3117
Search Google for chemical match using the InChIKey AUZONCFQVSMFAP-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey AUZONCFQVSMFAP-UHFFFAOYSA-N
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Wikipedia Disulfiram
Comments
Disulfiram inhibits acetaldehyde dehydrogenase to expedite acetaldehyde accumulation and rapid onset (within 5-10 minutes of alcohol intake) of the unpleasant effects typical of a hangover.