MEFLOQUINE

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Synonyms
Status
Molecule Category Free-form
ATC P01BC02
UNII TML814419R

Structure

InChI Key XEEQGYMUWCZPDN-UHFFFAOYSA-N
Smiles OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1
InChI
InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H16F6N2O
Molecular Weight 378.32
AlogP 4.45
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 45.15
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 95
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 112.73-161.62
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 112.73-161.62
Homo sapiens
- - - - 95
Plasmodium falciparum
4.9-64 0.31-194.6 - - 83
Plasmodium falciparum 3D7
20-160 2.1-20 - - -
Plasmodium falciparum D10
- 18 - - -
Plasmodium falciparum D6
- 11.25-36 - - -
Plasmodium falciparum FCR-3/Gambia
- 5 - - -
Plasmodium falciparum HB3
- 12-14 - - -
Plasmodium falciparum K1
40 8-14 - - -
Plasmodium falciparum Mad20/Papua New Guinea
- 13 - - -
Plasmodium falciparum VS/1
- 11 - - -
Plasmodium malariae
- 36.8-46.9 - - -
Plasmodium ovale
- 23.8 - - -
Plasmodium vivax
- 6.39-176 - - -

Cross References

Resources Reference
ChEBI 63681
ChEMBL CHEMBL416956
DrugBank DB00358
FDA SRS TML814419R
Human Metabolome Database HMDB0014502
Guide to Pharmacology 4252
KEGG C07633
PharmGKB PA450348
PubChem 40692
SureChEMBL SCHEMBL21782
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