| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1955) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 8Q2869CNVH |
| Parent Compound: | HYDROXYCHLOROQUINE |
Structure
| InChI Key | JCBIVZZPXRZKTI-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H28ClN3O5S |
| Molecular Weight | 433.96 |
| AlogP | 3.78 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 48.39 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 90 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Malaria | 4 | D008288 | ClinicalTrials |
| Coronavirus Infections | 3 | D018352 | ClinicalTrials |
| Lupus Erythematosus, Cutaneous | 3 | D008178 | ClinicalTrials |
| Lung Diseases | 3 | D008171 | ClinicalTrials |
| Lupus Erythematosus, Systemic | 3 | D008180 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
| Nephritis, Hereditary | 2 | D009394 | ClinicalTrials |
| Antiphospholipid Syndrome | 2 | D016736 | ClinicalTrials |
| Cholangiocarcinoma | 2 | D018281 | ClinicalTrials |
| Melanoma | 2 | D008545 | ClinicalTrials |
| Lung Diseases, Interstitial | 2 | D017563 | ClinicalTrials |
| Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
| Rheumatic Diseases | 1 | D012216 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1690 |
| EPA CompTox | DTXSID1047811 |
| FDA SRS | 8Q2869CNVH |
| PubChem | 12947 |
| SureChEMBL | SCHEMBL41114 |
CONTENTS