DISULFIRAM

Search structure
Trade Names:
Synonyms:
Status: Approved (1951)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N07BB01
UNII: TR3MLJ1UAI

Structure
InChI Key AUZONCFQVSMFAP-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Aldehyde dehydrogenase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 4000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2E Cytochrome P450 2E1
- - - - 53.35
Enzyme Hydrolase
- 360-1258.93 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- 1510 - - -
Enzyme Oxidoreductase
- 130 - - 0
Enzyme Phosphatase
- 600-1900 - - -
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily
- - - - 92
Enzyme Transferase
- 220-24100 - - 100.36
Enzyme
- 220-24100 - - 0
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 5.86-18.46
Epigenetic regulator Eraser Lysine demethylase Jumonji domain-containing
- 10000 - - -
Epigenetic regulator Reader Plant homeodomain
- 10000 - - -
Epigenetic regulator Writer Protein methyltransferase
- 1600 - - -
Ion channel Voltage-gated ion channel Transient receptor potential channel
3000 - - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- 23661 - 18284 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- 6013 - 4209 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Angiotensin receptor
- 6637 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 3511 - 1425 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 3218 - 1469 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 1084 - 1079 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 16001 - 2145 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- 356 - 201 -
Other cytosolic protein
- 1622 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 4637 - 3684 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -3.8-64.06
Unclassified protein
- 3000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Opioid-Related Disorders 2 D009293 ClinicalTrials
Neoplasms, Germ Cell and Embryonal 2 D009373 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Alcohol-Related Disorders 2 D019973 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Paraganglioma 2 D010235 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Amphetamine-Related Disorders 1 D019969 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Sarcoma 1 D012509 ClinicalTrials
Obesity 1 D009765 ClinicalTrials
Retinal Dystrophies 1 D058499 ClinicalTrials
Fatigue 1 D005221 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
20.19
Psychiatric disorders
15.32
General disorders and administration site conditions
11.13
Injury, poisoning and procedural complications
8.1
Investigations
6.59
Hepatobiliary disorders
5.91
Gastrointestinal disorders
5.29
Vascular disorders
4.12
Skin and subcutaneous tissue disorders
3.98
Cardiac disorders
3.02
Surgical and medical procedures
2.75
Metabolism and nutrition disorders
2.68
Musculoskeletal and connective tissue disorders
2.4
Respiratory, thoracic and mediastinal disorders
2.13

Cross References

Resources Reference
CAS NUMBER 97-77-8
ChEBI 4659
ChEMBL CHEMBL964
DrugBank DB00822
DrugCentral 928
EPA CompTox DTXSID1021322
FDA SRS TR3MLJ1UAI
Human Metabolome Database HMDB14960
Guide to Pharmacology 7168
KEGG C01692
PharmGKB PA449376
PubChem 3117
SureChEMBL SCHEMBL27213
ZINC ZINC000001529266
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