HYDROXYCHLOROQUINE SULFATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 8Q2869CNVH
EPA CompTox DTXSID1047811
Parent Compound: HYDROXYCHLOROQUINE

Structure

InChI Key JCBIVZZPXRZKTI-UHFFFAOYSA-N
Smiles CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O
InChI
InChI=1S/C18H26ClN3O.H2O4S/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;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)

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

Mechanism of Action Action Reference
Ferriprotoporphyrin IX inhibitor INHIBITOR PubMed Wikipedia
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
- - - - 90.44-90.84
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 90.44-90.84

Target Conservation

Protein: Toll-like receptor 9
Description: Toll-like receptor 9
Organism : Homo sapiens
Q9NR96 ENSG00000239732
Protein: Toll-like receptor 7
Description: Toll-like receptor 7
Organism : Homo sapiens
Q9NYK1 ENSG00000196664

Cross References

Resources Reference
ChEMBL CHEMBL1690
FDA SRS 8Q2869CNVH
PubChem 12947
SureChEMBL SCHEMBL41114
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