Trade Names: | |
Synonyms: | |
Status: | Approved (1955) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | 8Q2869CNVH |
Parent Compound: | HYDROXYCHLOROQUINE |
InChI Key | JCBIVZZPXRZKTI-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 |
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 |
Resources | Reference |
---|---|
ChEMBL | CHEMBL1690 |
EPA CompTox | DTXSID1047811 |
FDA SRS | 8Q2869CNVH |
PubChem | 12947 |
SureChEMBL | SCHEMBL41114 |