ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL64195
CHEMBL64195
Compound Name BECLAMIDE
ChEMBL Synonyms BENZCHLORPROPAMIDE | BECLAMIDE | BENZYLAMIDE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C10H12ClNO

Additional synonyms for CHEMBL64195 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClCCC(=O)NCc1ccccc1
Standard InChI InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6 ...
Download InChI
Standard InChI Key JPYQFYIEOUVJDU-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL64195

Molecule Features

CHEMBL64195 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
EPILEPSYD004827EFO:0000474EPILEPSY4ATC

Clinical Data

ClinicalTrials.gov BECLAMIDE
The Cochrane Collaboration BECLAMIDE

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 CHEMBL64195. 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
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.921
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.908
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.895
CHEMBL204 Thrombin Homo sapiens 0.515
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.299
CHEMBL5514 Huntingtin Homo sapiens 0.246
CHEMBL2392 DNA polymerase beta Homo sapiens 0.243



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.896
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.658
CHEMBL1947 Thyroid hormone receptor beta-1 Homo sapiens 0.564
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.401
CHEMBL204 Thrombin Homo sapiens 0.350
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.266

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
197.7 197.0607 1.74 4 29.1 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.8 1.8 1 13 0.73

Structural Alerts

There are 8 structural alerts for CHEMBL64195. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N03 - ANTIEPILEPTICS
N03A - ANTIEPILEPTICS
N03AX - Other antiepileptics
N03AX30 - beclamide

ChemSpider ChemSpider:JPYQFYIEOUVJDU-UHFFFAOYSA-N
PubChem SID: 170466371
Wikipedia Beclamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL64195



ACToR 501-68-8
ChEBI 134859
DrugBank DB09011
DrugCentral 291
eMolecules 821306
EPA CompTox Dashboard DTXSID5057755
FDA SRS F5N0ALI65V
IBM Patent System 488B7C06A137EC78B3C4749DACDFCFAE
Mcule MCULE-2526925294
MolPort MolPort-000-931-521
Nikkaji J6.194H
PubChem 10391
PubChem: Thomson Pharma 15244165
SureChEMBL SCHEMBL35199
ZINC ZINC000001694184

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