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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL535650
CHEMBL535650
Compound Name MEFLOQUINE HYDROCHLORIDE
ChEMBL Synonyms MEFLOQUINE HYDROCHLORIDE | RO 21-5998/001 | LARIAM | Fansimef
Max Phase 4 (Approved)
Trade Names Fansimef | LARIAM | MEFLOQUINE HYDROCHLORIDE
Molecular Formula C17H17ClF6N2O

Additional synonyms for CHEMBL535650 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F
Standard InChI InChI=1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12 ...
Download InChI
Standard InChI Key WESWYMRNZNDGBX-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Manually Added Drugs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL535650

Molecule Features

CHEMBL535650 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Ferriprotoporphyrin IX inhibitor Ferriprotoporphyrin IX PubMed

Clinical Data

ClinicalTrials.gov MEFLOQUINE HYDROCHLORIDE
The Cochrane Collaboration MEFLOQUINE HYDROCHLORIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL535650. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4794 Vanilloid receptor Homo sapiens 0.241

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
378.3 378.1167 4.3 4 45.15 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.81 9.24 2.2 .5 2 26 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL535650. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WESWYMRNZNDGBX-UHFFFAOYSA-N
DailyMed mefloquine hydrochloride
PubChem SID: 56463353

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL535650



ACToR 51773-92-3
eMolecules 33507316
MolPort MolPort-003-666-433
PubChem 44326656 441362 57516060
PubChem: Thomson Pharma 14806643
SureChEMBL SCHEMBL41095

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WESWYMRNZNDGBX-UHFFFAOYSA-N spacer
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