DISULFIRAM

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC N07BB01 P03AA04
UNII TR3MLJ1UAI
EPA CompTox DTXSID1021322

Structure

InChI Key AUZONCFQVSMFAP-UHFFFAOYSA-N
Smiles CCN(CC)C(=S)SSC(=S)N(CC)CC
InChI
InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20N2S4
Molecular Weight 296.55
AlogP 3.62
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Aldehyde dehydrogenase inhibitor INHIBITOR Wikipedia DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 360 - - -
Enzyme Oxidoreductase
- 59-320 - - 0-57.26
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily
- - - - 92
Enzyme Transferase
- 600 - - -
Enzyme
- 59-320 - - 0-57.26
Epigenetic regulator Writer Protein methyltransferase
- 600 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -3.8-71.59
Unclassified protein
- 400-400 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Candida albicans
- - - - 82.97
Cricetulus griseus
- - - - 64.06-71.59
Giardia intestinalis
- 600-900 - - -
Homo sapiens
- 31.1-600 - - -3.8-92
Mus musculus
- 400 - - -

Cross References

Resources Reference
ChEBI 4659
ChEMBL CHEMBL964
DrugBank DB00822
DrugCentral 928
FDA SRS TR3MLJ1UAI
Human Metabolome Database HMDB0014960
Guide to Pharmacology 7168
KEGG C01692
PharmGKB PA449376
PubChem 3117
SureChEMBL SCHEMBL27213
ZINC ZINC000001529266
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