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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

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

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

ClinicalTrials.gov ETICYCLIDINE
The Cochrane Collaboration ETICYCLIDINE

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 0.971
CHEMBL287 Sigma opioid receptor Homo sapiens 0.884
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.800
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.756
CHEMBL228 Serotonin transporter Homo sapiens 0.727
CHEMBL236 Delta opioid receptor Homo sapiens 0.718
CHEMBL233 Mu opioid receptor Homo sapiens 0.714
CHEMBL237 Kappa opioid receptor Homo sapiens 0.643
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.554
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.447
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.253
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.248



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2581 Cathepsin D Homo sapiens 1.000
CHEMBL4822 Beta-secretase 1 Homo sapiens 0.987
CHEMBL228 Serotonin transporter Homo sapiens 0.958
CHEMBL233 Mu opioid receptor Homo sapiens 0.944
CHEMBL287 Sigma opioid receptor Homo sapiens 0.943
CHEMBL236 Delta opioid receptor Homo sapiens 0.861
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.845
CHEMBL237 Kappa opioid receptor Homo sapiens 0.787
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.778
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.542
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.530
CHEMBL222 Norepinephrine transporter Homo sapiens 0.431
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.402
CHEMBL240 HERG Homo sapiens 0.345
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.259
CHEMBL2525 Beta secretase 2 Homo sapiens 0.258

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
ZINC ZINC000001482061

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