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ChEMBL Statistics
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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

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

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 CHEMBL279676

Alternate Forms of Compound in ChEMBL


CHEMBL279676

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
CHEMBL2337 Glycine transporter 1 Homo sapiens 1.000
CHEMBL401 Glutamate [NMDA] receptor subunit epsilon 3 Rattus norvegicus 0.998
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.986
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.953
CHEMBL6184 Transporter Rattus norvegicus 0.813
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.503
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.387
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.321
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.266



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL401 Glutamate [NMDA] receptor subunit epsilon 3 Rattus norvegicus 0.999
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.999
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.995
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.962
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.747
CHEMBL240 HERG Homo sapiens 0.380
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.365
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.281
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.230
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.218

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

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
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

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