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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279924
CHEMBL279924
Compound Name ETICYCLIDINE
ChEMBL Synonyms Eticyclidine
Max Phase 0
Trade Names
Molecular Formula C14H21N

Additional synonyms for CHEMBL279924 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC1(CCCCC1)c2ccccc2
Standard InChI InChI=1S/C14H21N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13/ ...
Download InChI
Standard InChI Key IFYLVUHLOOCYBG-UHFFFAOYSA-N

Molecule Features

CHEMBL279924 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y 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 no structural alerts for CHEMBL279924

Alternate Forms of Compound in ChEMBL


CHEMBL279924

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 CHEMBL279924. 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
CHEMBL2581 Cathepsin D Homo sapiens 1.000
CHEMBL4822 Beta-secretase 1 Homo sapiens 1.000
CHEMBL287 Sigma opioid receptor Homo sapiens 0.865
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.810
CHEMBL228 Serotonin transporter Homo sapiens 0.717
CHEMBL236 Delta opioid receptor Homo sapiens 0.612
CHEMBL237 Kappa opioid receptor Homo sapiens 0.498
CHEMBL233 Mu opioid receptor Homo sapiens 0.450
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.412
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.276
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.251



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2581 Cathepsin D Homo sapiens 1.000
CHEMBL4822 Beta-secretase 1 Homo sapiens 1.000
CHEMBL228 Serotonin transporter Homo sapiens 0.969
CHEMBL287 Sigma opioid receptor Homo sapiens 0.941
CHEMBL233 Mu opioid receptor Homo sapiens 0.914
CHEMBL236 Delta opioid receptor Homo sapiens 0.860
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.836
CHEMBL237 Kappa opioid receptor Homo sapiens 0.775
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.627
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.454
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.419
CHEMBL222 Norepinephrine transporter Homo sapiens 0.386
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.225

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
203.3 203.1674 3.43 3 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.17 3.65 1.05 1 15 0.79

Compound Cross References

ChemSpider ChemSpider:IFYLVUHLOOCYBG-UHFFFAOYSA-N
Wikipedia Eticyclidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279924



ACToR 2201-15-2
BindinDB 50028055
FDA SRS O8I1LL6A89
IBM Patent System 2CAFD66ECA64011484169F6BBF54861B
IBM Patents WO2010024870A1 WO2006017336A2 US6331289 US20060110428 WO2010089132A1 EP1954244A1 US20040141922 EP1768651A2 WO2008086804A2 WO2006014484A2 US20080293695 US20100226943 US6261537 US20100291205 WO2010149169A2 US20100055126 WO2010036937A1 US20100203130 US20060127486 WO2007061529A1 US7632929 US20040242848 US20070116729 WO2009146202A2 US20100203129 US20080207601 WO2010083843A1 EP2104493A2 WO2006110642A2 US20100204259 US20030119083 US6680047 US20070238653 US20090259039 US20080075772 US20050002865 US20090005722 US20020102215 EP1868593A2 WO2010088911A1 US7202348 US20070207145 US20020102217 US6264917
Nikkaji J7.356C
PubChem 16622
PubChem: Thomson Pharma 14969018
SureChEMBL SCHEMBL66697

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