ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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 0.837
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.791
CHEMBL233 Mu opioid receptor Homo sapiens 0.768
CHEMBL236 Delta opioid receptor Homo sapiens 0.710
CHEMBL228 Serotonin transporter Homo sapiens 0.680
CHEMBL237 Kappa opioid receptor Homo sapiens 0.622
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.350
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.286



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2581 Cathepsin D Homo sapiens 1.000
CHEMBL4822 Beta-secretase 1 Homo sapiens 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 0.965
CHEMBL228 Serotonin transporter Homo sapiens 0.962
CHEMBL287 Sigma opioid receptor Homo sapiens 0.927
CHEMBL236 Delta opioid receptor Homo sapiens 0.891
CHEMBL237 Kappa opioid receptor Homo sapiens 0.836
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.810
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.597
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.421
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.383
CHEMBL222 Norepinephrine transporter Homo sapiens 0.305
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.220

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
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
spacer