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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9484
CHEMBL9484
Compound Name CLOFILIUM
ChEMBL Synonyms GNF-Pf-3889 | CLOFILIUM PHOSPHATE
Max Phase 0
Trade Names
Molecular Formula C21H37ClN

Additional synonyms for CHEMBL9484 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1
Standard InChI InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-2 ...
Download InChI
Standard InChI Key WPSYTTKBGAZSCX-UHFFFAOYSA-N

Sources

  • Novartis Malaria Screening
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL9484

Molecule Features

CHEMBL9484 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CLOFILIUM
The Cochrane Collaboration CLOFILIUM

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 CHEMBL9484. 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
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 1.000
CHEMBL3514 LDL-associated phospholipase A2 Homo sapiens 1.000
CHEMBL2265 Acyl coenzyme A:cholesterol acyltransferase Homo sapiens 0.999
CHEMBL3816 Cytosolic phospholipase A2 Homo sapiens 0.999
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.998
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.991
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.985
CHEMBL3229 Anandamide amidohydrolase Rattus norvegicus 0.963
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 0.959
CHEMBL4394 Sphingosine kinase 1 Homo sapiens 0.909
CHEMBL287 Sigma opioid receptor Homo sapiens 0.851
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 0.403
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.349
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 0.309



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3816 Cytosolic phospholipase A2 Homo sapiens 1.000
CHEMBL3514 LDL-associated phospholipase A2 Homo sapiens 0.999
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.999
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.999
CHEMBL2265 Acyl coenzyme A:cholesterol acyltransferase Homo sapiens 0.999
CHEMBL3229 Anandamide amidohydrolase Rattus norvegicus 0.999
CHEMBL3023 Sphingosine kinase 2 Homo sapiens 0.998
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.997
CHEMBL4394 Sphingosine kinase 1 Homo sapiens 0.995
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.992
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 0.966
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.850
CHEMBL287 Sigma opioid receptor Homo sapiens 0.688
CHEMBL4414 Plasmepsin 2 Plasmodium falciparum 0.684
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 0.677
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.515
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.399
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.399
CHEMBL285 Acyl coenzyme A:cholesterol acyltransferase 1 Rattus norvegicus 0.333
CHEMBL5160 Transient receptor potential cation channel subfamily A member 1 Rattus norvegicus 0.311

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
339 338.2615 5.84 13 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 1 1 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .32 .32 1 23 0.31

Structural Alerts

There are 6 structural alerts for CHEMBL9484. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WPSYTTKBGAZSCX-UHFFFAOYSA-N
Wikipedia Clofilium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9484



ACToR 68379-02-2
BindingDB 89440
ChEBI 34649
EPA CompTox Dashboard DTXSID9048568
FDA SRS 847G178BMC
Guide to Pharmacology 2507
IBM Patent System 996C77C94BD6965AECC90E564A6D2080
KEGG Ligand C13772
LINCS LSM-5214
Nikkaji J354.009J
PubChem 2798
SureChEMBL SCHEMBL157537
ZINC ZINC000008035458

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