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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL61872
CHEMBL61872
Compound Name TALAMPANEL
ChEMBL Synonyms LY-300164 | Talampanel
Max Phase 2
Trade Names
Molecular Formula C19H19N3O3

Additional synonyms for CHEMBL61872 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1Cc2cc3OCOc3cc2C(=NN1C(=O)C)c4ccc(N)cc4
Standard InChI InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)1 ...
Download InChI
Standard InChI Key JACAAXNEHGBPOQ-LLVKDONJSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL61872

Molecule Features

CHEMBL61872 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
EPILEPSYD004827EFO:0000474EPILEPSY2ClinicalTrials
GLIOBLASTOMAD005909EFO:0000519GLIOBLASTOMA MULTIFORME2ClinicalTrials
AMYOTROPHIC LATERAL SCLEROSISD000690EFO:0000253AMYOTROPHIC LATERAL SCLEROSIS2ClinicalTrials

Clinical Data

ClinicalTrials.gov TALAMPANEL
The Cochrane Collaboration TALAMPANEL

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 CHEMBL61872. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1287620 Fructose-bisphosphate aldolase Mycobacterium tuberculosis 0.280

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
337.4 337.1426 2.34 1 77.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.67 2.19 2.19 2 25 0.81

Structural Alerts

There are 3 structural alerts for CHEMBL61872. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JACAAXNEHGBPOQ-LLVKDONJSA-N
Wikipedia Talampanel

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL61872



ACToR 161832-65-1
ChEBI 34992
DrugBank DB04982
EPA CompTox Dashboard DTXSID10167259
FDA SRS CVS43XG1L5
Guide to Pharmacology 8279
IBM Patent System AEC705B98D3A714F92C08620DA5D2776
KEGG Ligand C13670
MolPort MolPort-006-170-041
Nikkaji J722.092H
PubChem 164509
PubChem: Drugs of the Future 12015007
PubChem: Thomson Pharma 14924664 14777784
SureChEMBL SCHEMBL118011
ZINC ZINC000003823565

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