Molecule Details
InChIKeyAUZONCFQVSMFAP-UHFFFAOYSA-N
Compound NameDisulfiram
Canonical SMILESCCN(CC)C(=S)SSC(=S)N(CC)CC
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)15
Pfam Stratification Cross-Family
Avg pChEMBL6.5
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00822
Drug NameDisulfiram
CAS Number97-77-8
Groups approved investigational
ATC Codes P03AA04 P03AA54 N07BB01
DescriptionA carbamate derivative used as an alcohol deterrent. It is a relatively nontoxic substance when administered alone, but markedly alters the intermediary metabolism of alcohol. When alcohol is ingested after administration of disulfiram, blood acetaldehyde concentrations are increased, followed by fl...

Categories: Acetyl Aldehyde Dehydrogenase Inhibitors Acids, Acyclic Agents that reduce seizure threshold Alcohol Deterrents Aldehyde Dehydrogenase Inhibitor Antiparasitic Products, Insecticides and Repellents BSEP/ABCB11 Substrates Carbamates Central Nervous System Agents Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Disulfides Drugs Used in Addictive Disorders Drugs Used in Alcohol Dependence Ectoparasiticides, Incl. Scabicides Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents Enzyme Inhibitors Nervous System Potential QTc-Prolonging Agents QTc Prolonging Agents Sulfides Sulfur Compounds Sulfur Containing Products Thiocarbamates
Cross-references: BindingDB: 50058655 ChEBI: 4659 CHEMBL964 ChemSpider: 3005 Drugs Product Database (DPD): 5805 C01692 D00131 PharmGKB: PA449376 PubChem:3117 PubChem:46506008 RxCUI: 3554 Therapeutic Targets Database: DAP000012 Wikipedia: Disulfiram ZINC: ZINC000001529266
Target Activities (15)
Target Gene Organism Category Pfam pChEMBL Type Source
Q96JB6 LOXL4 Homo sapiens Human PF01186 PF00530 7.2 IC50 ChEMBL;BindingDB
P58215 LOXL3 Homo sapiens Human PF01186 PF00530 7.0 IC50 ChEMBL;BindingDB
P00352 ALDH1A1 Homo sapiens Human PF00171 6.9 IC50 ChEMBL;BindingDB
Q9Y4K0 LOXL2 Homo sapiens Human PF01186 PF00530 6.8 IC50 ChEMBL;BindingDB
P0DMS8 ADORA3 Homo sapiens Human PF00001 6.6 IC50 ChEMBL
P28300 LOX Homo sapiens Human PF01186 6.5 IC50 ChEMBL;BindingDB
P35462 DRD3 Homo sapiens Human PF00001 6.4 Ki ChEMBL
P57764 GSDMD Homo sapiens Human PF04598 PF17708 6.4 IC50 ChEMBL
O43175 PHGDH Homo sapiens Human PF00389 PF02826 PF19304 6.2 IC50 ChEMBL
Q99685 MGLL Homo sapiens Human PF12146 6.2 IC50 ChEMBL;BindingDB
P09467 FBP1 Homo sapiens Human PF00316 PF18913 6.2 IC50 ChEMBL;BindingDB
Q96KQ7 EHMT2 Homo sapiens Human PF00023 PF12796 PF21533 PF05033 PF00856 6.2 IC50 ChEMBL;BindingDB
P41597 CCR2 Homo sapiens Human PF00001 6.0 Ki ChEMBL
P0DTD1 rep Severe acute respiratory syndrome coronavirus 2 Pathogen PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 6.4 IC50 ChEMBL;BindingDB
O97438 CBK Giardia intestinalis Pathogen PF00696 6.2 IC50 ChEMBL;BindingDB
DrugBank Target Actions (7)
Target Gene Target Name Action Type
P05181 CYP2E1 Cytochrome P450 2E1 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P20815 CYP3A5 Cytochrome P450 3A5 substrate enzymes
P05091 ALDH2 Aldehyde dehydrogenase, mitochondrial inhibitor targets
P09172 DBH Dopamine beta-hydroxylase inhibitor targets
P51648 P51648 Aldehyde dehydrogenase family 3 member A2 inhibitor targets
O95342 ABCB11 Bile salt export pump substrate transporters