Compound Detail
CHEMBL1401
NITAZOXANIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1401 |
| Name | NITAZOXANIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | YQNQNVDNTFHQSW-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL1545 |
26
Targets
79
Activities
4
Assay Types
30
PK Parameters
20
Publications
7
Known Names
20
Indications
2
Mechanisms
Molecular Properties
307.3
MW (Da)
2.23
ALogP
7
HBA
1
HBD
111.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2002 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Pyruvate:ferredoxin oxidoreductase inhibitor | INHIBITOR | Pyruvate dehydrogenase [NADP(+)] | ✓ | ✓ |
| Pyruvate:ferredoxin oxidoreductase inhibitor | INHIBITOR | Pyruvate:ferredoxin oxidoreductase | ✓ | ✓ |
Indications
Amebiasis Diarrhea Arthritis, Rheumatoid Brain Diseases Clostridium Infections Cryptosporidiosis Dyspepsia Enterocolitis, Pseudomembranous Helicobacter Infections Influenza, Human Peritonitis Respiratory Tract Diseases Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome Bronchiolitis Crohn Disease Diabetes Mellitus, Type 2 Gastroenteritis Hepatitis B, Chronic Hepatitis C
ATC Classification
P01AX11
nitazoxanide
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS
Activity Summary
IC50 52 meas. best 7.82
EC50 21 meas. best 6.92
Ki 5 meas. best 6.52
Kd 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 7.82 | 6.5664 | 15.0 | 11 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 7.17 | 7.156 | 68.0 | 5 |
| Hepatitis B virus CHEMBL613497 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 6.92 | 6.7475 | 120.0 | 4 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.89 | 6.4317 | 130.0 | 6 |
| Unchecked CHEMBL612545 | Ki | 6.52 | 5.6325 | 300.0 | 4 |
| Anoctamin-1 CHEMBL2046267 | IC50 | 6.37 | 6.37 | 424.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 6.3 | 5.855 | 504.0 | 2 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.0 | 6.0 | 1011.0 | 1 |
| Vaccinia virus CHEMBL613493 | EC50 | 5.71 | 5.71 | 1950.0 | 1 |
| Chikungunya virus CHEMBL4296563 | EC50 | 5.71 | 5.515 | 1960.0 | 4 |
| Cryptosporidium parvum CHEMBL612855 | EC50 | 5.7 | 5.5775 | 2000.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 5.69 | 4.874 | 2061.2 | 5 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.67 | 5.67 | 2120.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.55 | 4.815 | 2818.4 | 2 |
| Cryptosporidium parvum CHEMBL612855 | IC50 | 5.49 | 5.455 | 3250.0 | 2 |
| Plasmodium berghei CHEMBL612653 | IC50 | 5.41 | 5.41 | 3890.0 | 1 |
| Leishmania mexicana CHEMBL612880 | IC50 | 5.21 | 5.21 | 6180.0 | 2 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.14 | 5.14 | 7230.0 | 2 |
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 5.08 | 5.08 | 8220.0 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 5.01 | 5.005 | 9800.0 | 2 |
| Pyruvate-flavodoxin oxidoreductase CHEMBL3308992 | Ki | 4.98 | 4.98 | 10500.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.97 | 4.97 | 10740.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.95 | 4.95 | 11200.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.73 | 4.73 | 18730.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 4.7 | 4.7 | 20170.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.7 | 4.7 | 20100.0 | 1 |
| Caco-2 CHEMBL614058 | IC50 | 4.57 | 4.57 | 26800.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.46 | 4.46 | 35000.0 | 2 |
| PC-3 CHEMBL390 | IC50 | 4.35 | 4.35 | 44700.0 | 1 |
| Trehalose-binding lipoprotein LpqY CHEMBL5169230 | Kd | 4.07 | 4.07 | 85400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 6500.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2040.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 14100.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 15950.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 202.3 | - | Chlorocebus sabaeus |
| AUC | 3200.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 11200.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 105.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 8.333 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 66712.23 | nM | Rattus norvegicus |
| Cmax | 35959.52 | nM | Rattus norvegicus |
| Cmax | 2414.66 | nM | Rattus norvegicus |
| Cmax | 15034.66 | nM | Rattus norvegicus |
| Cmax | 3254.25 | nM | Rattus norvegicus |
| Cmax | 9111.91 | nM | Rattus norvegicus |
| F | 30.0 | % | Homo sapiens |
| F | 2.8 | % | Rattus norvegicus |
| F | 5.7 | % | Rattus norvegicus |
| T1/2 | 0.1 | hr | Homo sapiens |
| T1/2 | 0.2 | hr | Rattus norvegicus |
| T1/2 | 0.6 | hr | Rattus norvegicus |
| T1/2 | 0.05 | hr | Rattus norvegicus |
| T1/2 | 0.8 | hr | Rattus norvegicus |
| T1/2 | 0.3 | hr | Rattus norvegicus |
| T1/2 | 7.3 | hr | - |
| Tmax | 2.1 | hr | Rattus norvegicus |
| Tmax | 0.7 | hr | Rattus norvegicus |
| Tmax | 0.4 | hr | Rattus norvegicus |
| Tmax | 0.7 | hr | Rattus norvegicus |
| Tmax | 0.08333 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine