Compound Detail
CHEMBL76
CHLOROQUINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL76 |
| Name | CHLOROQUINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | WHTVZRBIWZFKQO-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
99
Targets
2,267
Activities
4
Assay Types
30
PK Parameters
20
Publications
3
Known Names
20
Indications
Molecular Properties
319.9
MW (Da)
4.81
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1949 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Malaria Arthritis, Rheumatoid Glioblastoma Malaria, Falciparum Malaria, Vivax Pregnancy Severe Acute Respiratory Syndrome Acquired Immunodeficiency Syndrome Anemia, Sickle Cell Brain Diseases Breast Neoplasms HIV Infections Influenza, Human Lupus Erythematosus, Systemic Multiple Myeloma Carcinoma, Intraductal, Noninfiltrating Gliosarcoma Neoplasms Pancreatic Neoplasms Severe Dengue
ATC Classification
P01BA01
chloroquine
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS
Activity Summary
IC50 2,029 meas. best 10.52
EC50 221 meas. best 10.02
Ki 12 meas. best 7.1
Kd 5 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 10.52 | 7.1771 | 0.0 | 1712 |
| Unchecked CHEMBL612545 | IC50 | 10.52 | 5.1258 | 0.0 | 38 |
| Plasmodium falciparum CHEMBL364 | EC50 | 10.02 | 7.1428 | 0.1 | 148 |
| Plasmodium vivax CHEMBL613013 | IC50 | 8.26 | 6.8908 | 5.5 | 24 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.11 | 5.3983 | 7.8 | 12 |
| Plasmodium knowlesi CHEMBL613011 | EC50 | 8.0 | 7.34 | 10.0 | 2 |
| Plasmodium knowlesi CHEMBL613011 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Plasmodium malariae CHEMBL613257 | IC50 | 7.85 | 7.37 | 14.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 7.75 | 7.355 | 18.0 | 2 |
| Cryptosporidium parvum CHEMBL612855 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Dihydrofolate reductase CHEMBL1075051 | IC50 | 7.52 | 7.5167 | 30.1 | 3 |
| A549 CHEMBL392 | IC50 | 7.4 | 5.7 | 40.0 | 2 |
| Plasmodium berghei CHEMBL612653 | IC50 | 7.22 | 5.69 | 60.0 | 3 |
| MRC5 CHEMBL614181 | IC50 | 7.19 | 5.0075 | 64.0 | 4 |
| Histidine-rich protein PFHRP-II CHEMBL1923 | IC50 | 7.12 | 4.9289 | 76.5 | 9 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Plasmodium yoelii CHEMBL612889 | IC50 | 6.97 | 5.9533 | 106.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.96 | 5.3543 | 110.0 | 7 |
| Spike glycoprotein CHEMBL4662936 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Hemozoin CHEMBL613898 | IC50 | 6.75 | 4.7442 | 180.0 | 12 |
| L6 CHEMBL614793 | IC50 | 6.72 | 4.4491 | 188.5 | 11 |
| Plasmodium falciparum K1 CHEMBL612856 | IC50 | 6.63 | 6.63 | 235.0 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 6.57 | 6.57 | 270.0 | 2 |
| Human coronavirus OC43 CHEMBL5209665 | EC50 | 6.48 | 6.48 | 330.0 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 6.4 | 6.4 | 401.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 6.31 | 4.942 | 490.0 | 5 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Zika virus CHEMBL4296612 | EC50 | 6.02 | 5.2413 | 950.0 | 8 |
| Angiotensin-converting enzyme 2 CHEMBL3736 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.95 | 5.5267 | 1130.0 | 6 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.95 | 5.1386 | 1130.0 | 7 |
| SARS-CoV CHEMBL4303836 | EC50 | 5.95 | 5.5767 | 1130.0 | 3 |
| Human coronavirus 229E CHEMBL613837 | EC50 | 5.89 | 5.6167 | 1300.0 | 3 |
| Ribosyldihydronicotinamide dehydrogenase [quinone] CHEMBL3959 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| BK polyomavirus CHEMBL4888480 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Hepatocyte CHEMBL613289 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Riboflavin-binding protein CHEMBL1944489 | Kd | 5.68 | 5.68 | 2100.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.6 | 5.6 | 2500.0 | 4 |
| Middle East respiratory syndrome-related coronavirus CHEMBL4296578 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
| BEAS-2B CHEMBL4296403 | IC50 | 5.51 | 5.51 | 3070.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 5.5 | 5.31 | 3162.3 | 2 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.48 | 5.48 | 3311.3 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.46 | 4.8371 | 3460.0 | 7 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.42 | 5.42 | 3810.0 | 1 |
| Heme CHEMBL4651321 | Kd | 5.4 | 5.4 | 4000.0 | 1 |
| Major prion protein CHEMBL4869 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| ScN2a CHEMBL613872 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Usutu virus CHEMBL4296609 | EC50 | 5.37 | 5.2567 | 4240.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 37489.94 | ng.hr.mL-1 | Homo sapiens |
| AUC | 39185.3 | ng.hr.mL-1 | Homo sapiens |
| AUC | 844.16 | ng.hr.mL-1 | Mus musculus |
| AUC | 50028.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 35659.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 47545.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 59431.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 41255.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 23876.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 31835.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 39793.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 30.15 | ng.hr.mL-1 | Rattus norvegicus |
| AUClast | - | - | Plasmodium berghei |
| CL | 4.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.8 | mL.min-1.kg-1 | Homo sapiens |
| CL | 4.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 4.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.15 | L/hr | Rattus norvegicus |
| CL | 17.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 240.0 | nM | Homo sapiens |
| Cmax | 444.3 | nM | Mus musculus |
| Cmax | 1544.33 | nM | Homo sapiens |
| Cmax | 1234.84 | nM | Homo sapiens |
| Cmax | 925.35 | nM | Homo sapiens |
| Cmax | 1175.44 | nM | Homo sapiens |
| Cmax | 581.47 | nM | Homo sapiens |
| Cmax | 434.54 | nM | Homo sapiens |
| Cmax | 578.34 | nM | Homo sapiens |
| Cmax | 725.27 | nM | Homo sapiens |
| Cmax | 16346.76 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine