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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1255654
CHEMBL1255654
Compound Name TETRACAINE HYDROCHLORIDE
ChEMBL Synonyms AMETHOCAINE HYDROCHLORIDE | LOCAN | TETRACAINE HYDROCHLORIDE | PONTOCAINE HYDROCHLORIDE | ANETHAINE
Max Phase 4 (Approved)
Trade Names ANETHAINE | LOCAN | PONTOCAINE HYDROCHLORIDE | TETRACAINE HYDROCHLORIDE
Molecular Formula C15H25ClN2O2

Additional synonyms for CHEMBL1255654 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Standard InChI InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18) ...
Download InChI
Standard InChI Key PPWHTZKZQNXVAE-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1255654

Molecule Features

CHEMBL1255654 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:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AnesthesiaD0007584DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
FDA

Clinical Data

ClinicalTrials.gov TETRACAINE HYDROCHLORIDE
The Cochrane Collaboration TETRACAINE HYDROCHLORIDE

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 CHEMBL1255654. 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
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.470

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.260

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
264.4 264.1838 2.62 8 41.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.24 3.75 2.71 1 19 0.58

Structural Alerts

There are 3 structural alerts for CHEMBL1255654. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PPWHTZKZQNXVAE-UHFFFAOYSA-N
DailyMed tetracaine hydrochloride
PubChem SID: 11533049 SID: 144203841 SID: 170465190 SID: 26747689 SID: 26747690 SID: 50107143 SID: 50107144 SID: 50107145 SID: 85273695

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1255654



ACToR 136-47-0
Brenda 101597
ChEBI 9469
ChemicalBook CB1373091
eMolecules 594836
EPA CompTox Dashboard DTXSID6042448
FDA SRS 5NF5D4OPCI
MolPort MolPort-003-666-289
NMRShiftDB 10008926
PubChem 16057735 67109157 15939509 8695
PubChem: Thomson Pharma 14922939
Selleck tetracaine-hydrochloride-pontocaine
SureChEMBL SCHEMBL24370

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