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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL163238
CHEMBL163238
Compound Name PILSICAINIDE
ChEMBL Synonyms PILSICAINIDE | PILSICAINIDE HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C17H24N2O

Additional synonyms for CHEMBL163238 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(C)c1NC(=O)CC23CCCN2CCC3
Standard InChI InChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4 ...
Download InChI
Standard InChI Key BCQTVJKBTWGHCX-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL163238

Molecule Features

CHEMBL163238 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 PILSICAINIDE
The Cochrane Collaboration PILSICAINIDE

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 CHEMBL163238. 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
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 0.465
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.402

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 0.286
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.283

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
272.4 272.1889 3.26 3 32.34 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.36 1.88 -.63 1 20 0.92

Structural Alerts

There are no structural alerts for CHEMBL163238

Compound Cross References

ChemSpider ChemSpider:BCQTVJKBTWGHCX-UHFFFAOYSA-N
PubChem SID: 144206011 SID: 170465988 SID: 50112708
Wikipedia Pilsicainide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL163238



ACToR 88069-67-4
BindingDB 50413638
ChEBI 135127
ChemicalBook CB9699294
DrugBank DB12712
DrugCentral 2167
eMolecules 1988522
EPA CompTox Dashboard DTXSID1046639
FDA SRS AV0X7V6CSE
IBM Patent System 859C8B9FE694F758446D0D4660812BE8
MolPort MolPort-023-220-280
Nikkaji J355.412K
PubChem 4820
PubChem: Thomson Pharma 14750614
SureChEMBL SCHEMBL142244
ZINC ZINC000049925459

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