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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1107
CHEMBL1107
Compound Name HALOFANTRINE
ChEMBL Synonyms Halofantrine | WR-171669 | Halfan | Halofantrine HCl
Max Phase 4 (Approved)
Trade Names Halfan
Molecular Formula C26H30Cl2F3NO

Additional synonyms for CHEMBL1107 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F
Standard InChI InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-1 ...
Download InChI
Standard InChI Key FOHHNHSLJDZUGQ-UHFFFAOYSA-N

Mechanism of Action

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

Molecule Features

CHEMBL1107 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

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 7 structural alerts for CHEMBL1107. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1107

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 CHEMBL1107. 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.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.510

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.566

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
500.4 499.1657 8.2 11 23.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 2 2 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.79 4.65 4.65 3 33 0.27

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 - ANTIPROTOZOALS
P01B - ANTIMALARIALS
P01BX - Other antimalarials
P01BX01 - halofantrine

ChemSpider ChemSpider:FOHHNHSLJDZUGQ-UHFFFAOYSA-N
Wikipedia Halofantrine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1107



ACToR 66051-63-6 69756-53-2
BindingDB 79214
ChEBI 94392
DrugBank DB01218
eMolecules 901958
EPA CompTox Dashboard DTXSID0023119
Human Metabolome Database HMDB15349
LINCS LSM-5072
Nikkaji J18.879D
PharmGKB PA449839
PubChem 37393
PubChem: Thomson Pharma 14859927
SureChEMBL SCHEMBL43795

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