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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL253978
CHEMBL253978
Compound Name TELENZEPINE
ChEMBL Synonyms TELENZEPINE | Telenzepine dihydrochloride
Max Phase 1
Trade Names
Molecular Formula C19H22N4O2S

Additional synonyms for CHEMBL253978 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC(=O)N2c3ccccc3NC(=O)c4csc(C)c24)CC1
Standard InChI InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4- ...
Download InChI
Standard InChI Key VSWPGAIWKHPTKX-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL253978

Molecule Features

CHEMBL253978 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 TELENZEPINE
The Cochrane Collaboration TELENZEPINE

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 CHEMBL253978. 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
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.678
CHEMBL3788 Serine/threonine-protein kinase PLK4 Homo sapiens 0.299

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL317 Muscarinic acetylcholine receptor M4 Rattus norvegicus 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.480
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.410

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
370.5 370.1463 1.46 2 84.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.48 7.4 -.25 -.52 2 26 0.87

Structural Alerts

There are no structural alerts for CHEMBL253978

Compound Cross References

ChemSpider ChemSpider:VSWPGAIWKHPTKX-UHFFFAOYSA-N
PubChem SID: 104171244 SID: 11111843 SID: 11111844 SID: 11113930 SID: 11532931 SID: 144203825 SID: 170466639 SID: 26752083 SID: 90341323
Wikipedia Telenzepine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL253978



ACToR 80880-90-6
BindingDB 82376
ChEBI 92110
eMolecules 1933966
EPA CompTox Dashboard DTXSID5045209
FDA SRS 0990EG3K10
Guide to Pharmacology 8594
IBM Patent System 4DE266EF726B858D04C6C4AC7AA80A78
LINCS LSM-2111
Nikkaji J473.372J J385.387J J473.371A J385.388H J33.100G
PubChem 5387
PubChem: Thomson Pharma 14901930
SureChEMBL SCHEMBL49345
ZINC ZINC000019796161

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