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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL492
CHEMBL492
Compound Name ETIDOCAINE
ChEMBL Synonyms W-19053 [AS HYDROCHLORIDE] | DURANEST [AS HYDROCHLORIDE] | ETIDOCAINE HYDROCHLORIDE | ETIDOCAINE | DURANEST
Max Phase 4 (Approved)
Trade Names DURANEST [AS HYDROCHLORIDE] | DURANEST
Molecular Formula C17H28N2O

Additional synonyms for CHEMBL492 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C
Standard InChI InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10 ...
Download InChI
Standard InChI Key VTUSIVBDOCDNHS-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL492

Molecule Features

CHEMBL492 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Sodium channel alpha subunit blocker Sodium channel alpha subunit PubMed PubMed

Clinical Data

ClinicalTrials.gov ETIDOCAINE
The Cochrane Collaboration ETIDOCAINE

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 CHEMBL492. 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 0.983
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.234

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 0.924

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
276.4 276.2202 3.75 7 32.34 NEUTRAL


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
- 8.07 3.57 3.16 1 20 0.82

Structural Alerts

There are 1 structural alerts for CHEMBL492. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01B - ANESTHETICS, LOCAL
N01BB - Amides
N01BB57 - etidocaine, combinations

N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01B - ANESTHETICS, LOCAL
N01BB - Amides
N01BB07 - etidocaine

ChemSpider ChemSpider:VTUSIVBDOCDNHS-UHFFFAOYSA-N
PubChem SID: 144206521
Wikipedia Etidocaine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL492



ACToR 36637-18-0 60108-68-1
ChEBI 4904
DrugBank DB08987
DrugCentral 1097
EPA CompTox Dashboard DTXSID1023027
Guide to Pharmacology 2621
IBM Patent System 1C9A49CD1165D14EE8970D775790BDF0
KEGG Ligand C07530
Nikkaji J67.488E
PubChem 37497
PubChem: Thomson Pharma 15467101
SureChEMBL SCHEMBL57261

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