Molecule Details
| InChIKey | WHTVZRBIWZFKQO-UHFFFAOYSA-N |
|---|---|
| Compound Name | Chloroquine |
| Canonical SMILES | CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.71 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00608 |
|---|---|
| Drug Name | Chloroquine |
| CAS Number | 54-05-7 |
| Groups | approved investigational vet_approved |
| ATC Codes | P01BB52 P01BA01 |
| Description | Chloroquine is an aminoquinolone derivative first developed in the 1940s for the treatment of malaria.[A191655] It was the drug of choice to treat malaria until the development of newer antimalarials such as [pyrimethamine], [artemisinin], and [mefloquine].[A191787] Chloroquine and its derivative [h... |
Categories: Agents Causing Muscle Toxicity Agents that produce neuromuscular block (indirect) Agents that reduce seizure threshold Amebicides Aminoquinolines Analgesics Analgesics, Non-Narcotic Anti-Infective Agents Anti-Inflammatory Agents Antimalarials Antinematodal Agents Antiparasitic Agents Antiparasitic Products, Insecticides and Repellents Antiprotozoals Antirheumatic Agents Biguanides Central Nervous System Agents Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs causing inadvertant photosensitivity Drugs that are Mainly Renally Excreted Experimental Unapproved Treatments for COVID-19 Filaricides Heterocyclic Compounds, Fused-Ring Methemoglobinemia Associated Agents Moderate Risk QTc-Prolonging Agents P-glycoprotein inhibitors P-glycoprotein substrates Peripheral Nervous System Agents Photosensitizing Agents QTc Prolonging Agents Quinolines Sensory System Agents Tumor Necrosis Factor Blockers alpha-Galactosidase, antagonists & inhibitors
Cross-references: BindingDB: 22985 ChEBI: 3638 CHEMBL76 ChemSpider: 2618 Drugs Product Database (DPD): 6547 C07625 D02366 PDB: CLQ PharmGKB: PA448948 PubChem:2719 PubChem:46506925 RxCUI: 2393 Therapeutic Targets Database: DAP001357 Wikipedia: Chloroquine
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.1 | Ki | ChEMBL |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 6.6 | IC50 | ChEMBL |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.3 | Ki | ChEMBL |
| P0DTC2 | S | Severe acute respiratory syndrome coronavirus 2 | Pathogen | PF16451 PF09408 PF19209 PF01601 | 6.8 | IC50 | ChEMBL |
| P05227 | Plasmodium falciparum | Pathogen | PF05403 | 6.8 | IC50 | ChEMBL |
DrugBank Target Actions (18)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | alpha1-acid glycoprotein | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P04798 | CYP1A1 | Cytochrome P450 1A1 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P01375 | TNF | Tumor necrosis factor | inhibitor | targets |
| P09210 | GSTA2 | Glutathione S-transferase A2 | inhibitor | targets |
| P09429 | HMGB1 | High mobility group protein B1 | inhibitor | targets |
| P09488 | P09488 | Glutathione S-transferase Mu 1 | inhibitor | targets |
| Q8ILQ7 | Q8ILQ7 | Glutathione S-transferase | inhibitor | targets |
| Q9NR96 | TLR9 | Toll-like receptor 9 | inhibitor | targets |
| Q16570 | Q16570 | Atypical chemokine receptor 1 | modulator | targets |
| Q9BYF1 | ACE2 | Angiotensin-converting enzyme 2 | modulator | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |