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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 | 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

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

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

Alternate Forms of Compound in ChEMBL


CHEMBL9484

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
CHEMBL3816 Cytosolic phospholipase A2 Homo sapiens 0.999
CHEMBL2265 Acyl coenzyme A:cholesterol acyltransferase Homo sapiens 0.999
CHEMBL3514 LDL-associated phospholipase A2 Homo sapiens 0.997
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.997
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 0.971
CHEMBL3229 Anandamide amidohydrolase Rattus norvegicus 0.970
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.965
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.889
CHEMBL287 Sigma opioid receptor Homo sapiens 0.833
CHEMBL4394 Sphingosine kinase 1 Homo sapiens 0.821
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 0.382
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.330



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 1.000
CHEMBL3816 Cytosolic phospholipase A2 Homo sapiens 1.000
CHEMBL3229 Anandamide amidohydrolase Rattus norvegicus 1.000
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.999
CHEMBL2265 Acyl coenzyme A:cholesterol acyltransferase Homo sapiens 0.999
CHEMBL3514 LDL-associated phospholipase A2 Homo sapiens 0.998
CHEMBL4394 Sphingosine kinase 1 Homo sapiens 0.994
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.988
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 0.982
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.979
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.850
CHEMBL3023 Sphingosine kinase 2 Homo sapiens 0.809
CHEMBL287 Sigma opioid receptor Homo sapiens 0.739
CHEMBL4414 Plasmepsin 2 Plasmodium falciparum 0.637
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 0.627
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.517
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.412
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 0.303
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.284
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.271

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

Compound Cross References

ChemSpider ChemSpider:WPSYTTKBGAZSCX-UHFFFAOYSA-N
Wikipedia Clofilium

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9484



ACToR 68379-02-2
BindinDB 89440
FDA SRS 847G178BMC
Guide to Pharmacology 2507
IBM Patent System 996C77C94BD6965AECC90E564A6D2080
IBM Patents WO2010024870A1 US6331289 US20090054312 US6403360 US20030134777 US20030050226 EP1930007A1 WO2007010498A2 US20080319092 WO2010126603A1 US4596827 WO2006088525A1 EP1877054A2 WO2005037052A2 WO2007050348A2 EP1667976B1 US20100041689 EP1983982A1 EP1667982A2 US20090182425 US20090042944 US20070048215 US6345200 US20060189677 US4545995 EP1996320A2 EP0626959A1 EP0107452A1 EP1993551A2 US20040259160 US20070122474 US20070117765 WO2008146029A2 WO2005009510A2 US20040058896 US20060094880 EP1940406A2 WO2007089679A2 WO2006094235A1 US6121289 US4962095 EP1666459A2 US20060199848 WO2004002449A1 US20040229296 EP1667976A1 WO2006094233A1 US5800498 US20050038256 US20070027177 WO2008141189A1 US7674820 US7067625 US20010023254 US6107499 US4289787 WO2009015180A2 EP2067494A1 US20080306154 US20100087437 EP2255184A2 US20100015228 WO2000047214A1 EP0799889A1 US20040180949 EP1341527A1 US20020010208 WO2010078300A1 US7723352 US20100029639 WO2008156654A2 US5240943 US20090304769 EP1829534A1 US20090143376 EP1150684A1 WO2007061798A3 US5693608 EP1879899A1 US20070161672 EP1667973A2 US5028616 US20100247669 EP1758909A1 US20040048885 WO2009029308A1 EP1968982A2 US20100087428 US7767830 US20100049064 US20070197632 US20070148692 WO2002051383A2 US7534790 US7199151 EP2198866A1 US5405997 US20020150622 EP1678499B1 WO2005016242A2
KEGG Ligand C13772
LINCS LSM-5214
Nikkaji J354.009J
PubChem 2798
SureChEMBL SCHEMBL157537
ZINC ZINC08035458

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