MEFLOQUINE

Search structure
Synonyms:
Status: Approved (1989)
Entry Type: Small molecule
Molecule Category: Parent
ATC: P01BC02
UNII: TML814419R

Structure
InChI Key XEEQGYMUWCZPDN-UHFFFAOYSA-N
Smile 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(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family
- 12000 - - -
Ion channel Ligand-gated ion channel Glycine receptor
2500 - - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 2600-5623 - - 95
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 113

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 4 D008288 ClinicalTrials
Schistosomiasis haematobia 3 D012553 ClinicalTrials
Malaria, Falciparum 3 D016778 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Pneumonia, Viral 2 D011024 ClinicalTrials
Respiratory Insufficiency 2 D012131 ClinicalTrials
Gliosarcoma 1 D018316 ClinicalTrials
Leukoencephalopathy, Progressive Multifocal 1 D007968 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 53230-10-7
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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