HYDROXYCHLOROQUINE

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Synonyms
Status
Molecule Category Free-form
ATC P01BA02
UNII 4QWG6N8QKH
EPA CompTox DTXSID8023135

Structure

InChI Key XXSMGPRMXLTPCZ-UHFFFAOYSA-N
Smiles CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
InChI
InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26ClN3O
Molecular Weight 335.88
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(%)
Membrane receptor Toll-like and Il-1 receptors
- 110-800 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 110-800 - - -
Plasmodium falciparum
- 21.5 - - -
Severe acute respiratory syndrome coronavirus 2
- 720 - - -

Related Entries

Cross References

Resources Reference
ChEBI 5801
ChEMBL CHEMBL1535
DrugBank DB01611
DrugCentral 1395
FDA SRS 4QWG6N8QKH
Human Metabolome Database HMDB0015549
Guide to Pharmacology 7198
KEGG C07043
PharmGKB PA164777036
PubChem 3652
SureChEMBL SCHEMBL8170
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