ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279676
CHEMBL279676
Compound Name TENOCYCLIDINE
ChEMBL Synonyms Tenocyclidine
Max Phase 0
Trade Names
Molecular Formula C15H23NS

Additional synonyms for CHEMBL279676 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCN(CC1)C2(CCCCC2)c3cccs3
Standard InChI InChI=1S/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2 ...
Download InChI
Standard InChI Key JUZZEWSCNBCFRL-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL279676

Molecule Features

CHEMBL279676 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 TENOCYCLIDINE
The Cochrane Collaboration TENOCYCLIDINE

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 CHEMBL279676. 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
CHEMBL401 Glutamate [NMDA] receptor subunit epsilon 3 Rattus norvegicus 0.999
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.973
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.956
CHEMBL6184 Transporter Rattus norvegicus 0.862
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.698
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.362
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.301
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.239



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL401 Glutamate [NMDA] receptor subunit epsilon 3 Rattus norvegicus 0.999
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.995
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.893
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.450
CHEMBL240 HERG Homo sapiens 0.278
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.267
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.235
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.226
CHEMBL287 Sigma opioid receptor Homo sapiens 0.214
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.212

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
249.4 249.1551 4.49 2 31.47 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.56 4.34 3.16 1 17 0.76

Structural Alerts

There are no structural alerts for CHEMBL279676

Compound Cross References

ChemSpider ChemSpider:JUZZEWSCNBCFRL-UHFFFAOYSA-N
PubChem SID: 144205386 SID: 29216149
Wikipedia Tenocyclidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279676



ACToR 1867-65-8 21500-98-1
BindingDB 50004107
Brenda 74814
ChEBI 64610
DrugBank DB01520
eMolecules 4349553
EPA CompTox Dashboard DTXSID3046168
FDA SRS 8BQ45Q6VCL
IBM Patent System 4D3C6D767514F81F31D9324D4D196819
Mcule MCULE-6412932499
Nikkaji J10.787E
PubChem 62751
PubChem: Thomson Pharma 14798602
SureChEMBL SCHEMBL517558
ZINC ZINC000000002131

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