CHLOROQUINE PHOSPHATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 6E17K3343P
EPA CompTox DTXSID7044681
Parent Compound: CHLOROQUINE

Structure

InChI Key QKICWELGRMTQCR-UHFFFAOYSA-N
Smiles CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O
InChI
InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H32ClN3O8P2
Molecular Weight 515.87
AlogP 4.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 28.16
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Ferriprotoporphyrin IX inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 20.4
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 6.8
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M27 family
- - - - 6.51-7
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 84.34-99.18
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Clostridium botulinum
- - - - 6.51-7
Cricetulus griseus
- - - - 84.34-99.18
Homo sapiens
- 31.83-600 - - -
Plasmodium berghei
- 72 - - 100
Plasmodium berghei ANKA
- - - - 88.5
Plasmodium berghei str. ANKA
- - - - 96.82
Plasmodium falciparum
- 4.7-634.3 - - 68.4
Plasmodium falciparum 3D7
- 5.4-110 - - -
Plasmodium falciparum 7G8
- 150.3 - - -
Plasmodium falciparum D10
- 21.8-316.23 - - -
Plasmodium falciparum D6
- 6 - - -
Plasmodium falciparum Dd2
- 140-300 - - -
Plasmodium falciparum FcB1/Columbia
- 50 - - -
Plasmodium falciparum HB3
- 28-316.23 - - -
Plasmodium falciparum K1
310 51-890 - - -
Plasmodium falciparum NF54
- 8.3-13.8 - - -
Plasmodium yoelii
- - - - 1.31-98.1

Cross References

Resources Reference
ChEBI 3638
ChEMBL CHEMBL58510
FDA SRS 6E17K3343P
Guide to Pharmacology 5535
KEGG C07625
PDB CLQ
PubChem 64927
SureChEMBL SCHEMBL40827
ZINC ZINC01530861
CONTENTS