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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1740065
CHEMBL1740065
Compound Name AMYLOCAINE
ChEMBL Synonyms AMYLOCAINE
Max Phase 0
Trade Names
Molecular Formula C14H21NO2

Additional synonyms for CHEMBL1740065 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(C)(CN(C)C)OC(=O)c1ccccc1
Standard InChI InChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-1 ...
Download InChI
Standard InChI Key FDMBBCOBEAVDAO-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1740065

Molecule Features

CHEMBL1740065 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov AMYLOCAINE
The Cochrane Collaboration AMYLOCAINE

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 CHEMBL1740065. 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
CHEMBL4478 Voltage-gated N-type calcium channel alpha-1B subunit Homo sapiens 0.244

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
235.3 235.1572 2.57 5 29.54 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.99 3.31 1.72 1 17 0.73

Structural Alerts

There are 2 structural alerts for CHEMBL1740065. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FDMBBCOBEAVDAO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1740065



ACToR 644-26-8
ChEBI 34981
DrugBank DB09088
DrugCentral 206
EPA CompTox Dashboard DTXSID6047862
IBM Patent System 95C4871F324D88C12FEEF1FD99E097A7
KEGG Ligand C14169
LINCS LSM-1292
Nikkaji J13.802I
PubChem 10767
PubChem: Thomson Pharma 14970430
SureChEMBL SCHEMBL81360

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