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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL416956
CHEMBL416956
Compound Name MEFLOQUINE
ChEMBL Synonyms Mefaquin | Mefloquine HCl | WR-142490 | Mefloquine | GNF-Pf-5544 | Ro-215998001 | Fansimef | Lariam | Ro-215998
Max Phase 4 (Approved)
Trade Names Lariam | Fansimef | Mefloquine HCl
Molecular Formula C17H16F6N2O

Additional synonyms for CHEMBL416956 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F
Standard InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1 ...
Download InChI
Standard InChI Key XEEQGYMUWCZPDN-UHFFFAOYSA-N

Mechanism of Action

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

Molecule Features

CHEMBL416956 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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 1 structural alerts for CHEMBL416956. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL416956

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

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

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 - ANTIPROTOZOALS
P01B - ANTIMALARIALS
P01BC - Methanolquinolines
P01BC02 - mefloquine

ChemSpider ChemSpider:XEEQGYMUWCZPDN-UHFFFAOYSA-N
DailyMed mefloquine hydrochloride
PubChem SID: 174006936 SID: 26748684 SID: 29216385
Wikipedia Mefloquine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL416956



ACToR 49752-90-1
Atlas mefloquine
ChEBI 63681
DrugBank DB00358
eMolecules 1987625
Human Metabolome Database HMDB14502
IBM Patent System 414F02EC2DF850B9BE37B23F57021748
KEGG Ligand C07633
LINCS LSM-5180
Nikkaji J320.015I
Patent EP0154491A2 US4521424
PharmGKB PA450348
PubChem 4046
PubChem: Thomson Pharma 14804464
SureChEMBL SCHEMBL21782

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