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ChEMBL Statistics
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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

Alternate Forms of Compound in ChEMBL


CHEMBL279924

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

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 0.977
CHEMBL287 Sigma opioid receptor Homo sapiens 0.886
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.846
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.781
CHEMBL228 Serotonin transporter Homo sapiens 0.766
CHEMBL236 Delta opioid receptor Homo sapiens 0.762
CHEMBL233 Mu opioid receptor Homo sapiens 0.748
CHEMBL237 Kappa opioid receptor Homo sapiens 0.609
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.609
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.586
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.310
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.279



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2581 Cathepsin D Homo sapiens 1.000
CHEMBL4822 Beta-secretase 1 Homo sapiens 0.990
CHEMBL228 Serotonin transporter Homo sapiens 0.964
CHEMBL233 Mu opioid receptor Homo sapiens 0.952
CHEMBL287 Sigma opioid receptor Homo sapiens 0.932
CHEMBL236 Delta opioid receptor Homo sapiens 0.889
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.857
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.820
CHEMBL237 Kappa opioid receptor Homo sapiens 0.783
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.633
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.601
CHEMBL222 Norepinephrine transporter Homo sapiens 0.522
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.449
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.278
CHEMBL2525 Beta secretase 2 Homo sapiens 0.273
CHEMBL240 HERG 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

Structural Alerts

There are no structural alerts for CHEMBL279924

Compound Cross References

ChemSpider ChemSpider:IFYLVUHLOOCYBG-UHFFFAOYSA-N
Wikipedia Eticyclidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279924



ACToR 2201-15-2
BindingDB 50028055
EPA CompTox Dashboard DTXSID2062248
FDA SRS O8I1LL6A89
IBM Patent System 2CAFD66ECA64011484169F6BBF54861B
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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