Compound Detail
CHEMBL964
DISULFIRAM 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL964 |
| Name | DISULFIRAM |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | AUZONCFQVSMFAP-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
58
Targets
129
Activities
3
Assay Types
2
PK Parameters
20
Publications
7
Known Names
20
Indications
1
Mechanisms
Molecular Properties
296.6
MW (Da)
3.62
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1951 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Aldehyde dehydrogenase inhibitor | INHIBITOR | Aldehyde dehydrogenase, mitochondrial | ✓ | ✓ |
Indications
Alcoholism Ectoparasitic Infestations Alcohol-Related Disorders Breast Neoplasms Breast Neoplasms Carcinoma, Non-Small-Cell Lung Cocaine-Related Disorders Cocaine-Related Disorders Glioblastoma Melanoma Melanoma Neoplasms, Germ Cell and Embryonal Opioid-Related Disorders Pancreatic Neoplasms Paraganglioma Severe Acute Respiratory Syndrome Amphetamine-Related Disorders Fatigue HIV Infections Multiple Myeloma
ATC Classification
N07BB01
disulfiram
Level 1: NERVOUS SYSTEM
Level 2: OTHER NERVOUS SYSTEM DRUGS
P03AA04
disulfiram
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
P03AA54
disulfiram, combinations
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
Drug Warnings
Black Box Warning
General Warning
Activity Summary
IC50 102 meas. best 7.51
Ki 21 meas. best 6.7
EC50 6 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.51 | 5.3289 | 31.1 | 18 |
| Lysyl oxidase homolog 4 CHEMBL4295926 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.06 | 6.196 | 87.0 | 5 |
| Lysyl oxidase homolog 3 CHEMBL4105989 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Aldehyde dehydrogenase 1A1 CHEMBL3577 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| T47D CHEMBL614361 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 6.7 | 6.7 | 201.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.66 | 5.3267 | 220.0 | 12 |
| 4T1 CHEMBL612589 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Protein-lysine 6-oxidase CHEMBL2249 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | IC50 | 6.45 | 6.45 | 356.0 | 1 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 6.44 | 6.17 | 360.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.43 | 6.43 | 368.0 | 1 |
| Gasdermin-D CHEMBL4523247 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Gasdermin-D CHEMBL4523446 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 6.39 | 5.775 | 410.0 | 2 |
| D-3-phosphoglycerate dehydrogenase CHEMBL2311243 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.22 | 5.88 | 600.0 | 9 |
| Carbamate kinase CHEMBL4802003 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| C-C chemokine receptor type 2 CHEMBL4015 | Ki | 6.02 | 6.02 | 954.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.97 | 5.97 | 1079.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 5.96 | 5.96 | 1084.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.96 | 5.96 | 1105.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.85 | 5.85 | 1425.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.83 | 5.83 | 1469.0 | 1 |
| Mitogen-activated protein kinase 3 CHEMBL3385 | IC50 | 5.82 | 5.82 | 1510.0 | 1 |
| Histone-lysine N-methyltransferase EHMT1 CHEMBL6031 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| 1-acylglycerol-3-phosphate O-acyltransferase ABHD5/Perilipin-5 CHEMBL3885501 | IC50 | 5.79 | 5.79 | 1622.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.74 | 5.74 | 1839.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 5.67 | 5.67 | 2145.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 5.67 | 5.67 | 2158.0 | 1 |
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 5.61 | 5.61 | 2468.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.61 | 5.61 | 2441.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.6 | 5.34 | 2511.9 | 5 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL3779755 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | IC50 | 5.5 | 5.5 | 3150.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 5.49 | 5.49 | 3218.0 | 1 |
| Aldehyde dehydrogenase, mitochondrial CHEMBL1935 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.46 | 5.46 | 3511.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.43 | 5.43 | 3684.0 | 1 |
| CEM-SS CHEMBL614548 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| C-X-C chemokine receptor type 2 CHEMBL2434 | Ki | 5.38 | 5.38 | 4209.0 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | Ki | 5.36 | 5.36 | 4397.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1848.0 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 0.0125 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine