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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL28564
CHEMBL28564
Compound Name ELIPRODIL
ChEMBL Synonyms Eliprodil
Max Phase 0
Trade Names
Molecular Formula C20H23ClFNO

Additional synonyms for CHEMBL28564 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CN1CCC(Cc2ccc(F)cc2)CC1)c3ccc(Cl)cc3
Standard InChI InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-1 ...
Download InChI
Standard InChI Key GGUSQTSTQSHJAH-UHFFFAOYSA-N

Molecule Features

CHEMBL28564 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture 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 no structural alerts for CHEMBL28564

Alternate Forms of Compound in ChEMBL


CHEMBL28564

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 CHEMBL28564. 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
CHEMBL3473 C-C chemokine receptor type 3 Homo sapiens 1.000
CHEMBL338 Dopamine transporter Rattus norvegicus 1.000
CHEMBL3465 Sigma opioid receptor Mus musculus 1.000
CHEMBL311 Glutamate [NMDA] receptor subunit epsilon 2 Rattus norvegicus 1.000
CHEMBL238 Dopamine transporter Homo sapiens 0.998
CHEMBL231 Histamine H1 receptor Homo sapiens 0.995
CHEMBL313 Serotonin transporter Rattus norvegicus 0.991
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.952
CHEMBL401 Glutamate [NMDA] receptor subunit epsilon 3 Rattus norvegicus 0.951
CHEMBL287 Sigma opioid receptor Homo sapiens 0.894
CHEMBL304 Norepinephrine transporter Rattus norvegicus 0.691
CHEMBL1904 Glutamate [NMDA] receptor subunit epsilon 2 Homo sapiens 0.551
CHEMBL259 Melanocortin receptor 4 Homo sapiens 0.435
CHEMBL228 Serotonin transporter Homo sapiens 0.392
CHEMBL3427 Dopamine D2 receptor Mus musculus 0.270
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.227



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3473 C-C chemokine receptor type 3 Homo sapiens 1.000
CHEMBL338 Dopamine transporter Rattus norvegicus 1.000
CHEMBL311 Glutamate [NMDA] receptor subunit epsilon 2 Rattus norvegicus 1.000
CHEMBL3465 Sigma opioid receptor Mus musculus 1.000
CHEMBL3427 Dopamine D2 receptor Mus musculus 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 0.999
CHEMBL238 Dopamine transporter Homo sapiens 0.998
CHEMBL304 Norepinephrine transporter Rattus norvegicus 0.995
CHEMBL401 Glutamate [NMDA] receptor subunit epsilon 3 Rattus norvegicus 0.989
CHEMBL287 Sigma opioid receptor Homo sapiens 0.957
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.954
CHEMBL228 Serotonin transporter Homo sapiens 0.922
CHEMBL1904 Glutamate [NMDA] receptor subunit epsilon 2 Homo sapiens 0.888
CHEMBL259 Melanocortin receptor 4 Homo sapiens 0.818
CHEMBL240 HERG Homo sapiens 0.802
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.660
CHEMBL222 Norepinephrine transporter Homo sapiens 0.488

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
347.9 347.1452 4.92 5 23.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.99 8.42 4.71 3.73 2 24 0.83

Compound Cross References

ChemSpider ChemSpider:GGUSQTSTQSHJAH-UHFFFAOYSA-N
PubChem SID: 144204745 SID: 170466155 SID: 26753224 SID: 26753225 SID: 26753226 SID: 90340808
Wikipedia Eliprodil

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL28564



ACToR 119431-25-3
BindinDB 50079387
eMolecules 537936
IBM Patent System 34AD6E4C095EA3DD19356394C863326F
IBM Patents US5710165 WO2006117666A3 EP2190829A2 WO2004037813A1 US20030004212 EP1587510A1 US5795909 EP1845968A2 EP1888660A2 US20080206332 WO2010036937A1 WO2009092770A1 WO2006134467A1 US20080119481 EP1926497A2 EP1912626A1 US20070072914 WO2007115020A2 EP1272218A2 WO2004099238A1 US20090227653 WO2007016766A1 WO2007006157A1 US7829592 WO2008027687A2 US6794402 EP2082766A1 US20060018933 US20060199868 WO2004085430A1 US7491844 EP1799264A2 US20040058896 US20080226714 WO2005058911A2 EP0938485A1 EP1909772A1 US7772392 US20100249134 US20070093462 EP1649857A2 US20080078382 EP1996163A2 US20080097108 US6416777 EP1513589B1 US20040192763 WO2007044693A2 US7268131 EP1082289A1 EP1310797A2 US20090229600 WO2008016661A2 EP1641455B1 EP1392242A1 US20050245460 US20070249602 US20050209218 WO2001076576A2 WO2005053688A1 US20090071477 EP1690528A1 US20050171190 WO2007104747A2 WO2002050070A2 US20100197688 US20060270832 US7202245 US20040110776 WO2005013919A2 EP1715843A1 WO2010015037A1 EP0945133A1 WO2006017354A1 EP2021005A1 US20030083649 US20090192222 WO1998019674A2 WO2008087529A1 WO2009048559A1 US20040092431 EP2032168A1 EP1256578B1 US20080119539 EP2183251A1 EP1441635A2 EP1924309A1 US20070191306 US20080108641 US20090181953 WO2006024018A2 US20080107641 US20050054650 US20030083346 US20040097562 US20090302493 WO2006096518A2 US7300943 US20090258376 US5877173
LINCS LSM-1677
MolPort MolPort-003-941-250
PubChem 60703
PubChem: Thomson Pharma 14802760
SureChEMBL SCHEMBL154047

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