ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL698
CHEMBL698
Compound Name TETRACAINE
ChEMBL Synonyms MEDIHALER-TETRACAINE | PONTOCAINE | TETRACAINE | Dicaine | AMETHOCAINE | ANETHAINE | PONTOCAINE HYDROCHLORIDE | LOCAN | AMETHOCAINE HYDROCHLORIDE | TETRACAINE HYDROCHLORIDE | METRASPRAY | AMETOP
Max Phase 4 (Approved)
Trade Names MEDIHALER-TETRACAINE | PONTOCAINE | ANETHAINE | Dicaine | LOCAN | PONTOCAINE HYDROCHLORIDE | TETRACAINE HYDROCHLORIDE | METRASPRAY | AMETOP
Molecular Formula C15H24N2O2

Additional synonyms for CHEMBL698 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCNc1ccc(cc1)C(=O)OCCN(C)C
Standard InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-1 ...
Download InChI
Standard InChI Key GKCBAIGFKIBETG-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL698

Molecule Features

CHEMBL698 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:Y 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
AnalgesiaD000698EFO:0003843pain4DailyMed
DailyMed
DailyMed
Carpal Tunnel SyndromeD002349EFO:0004143carpal tunnel syndrome2ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury2ClinicalTrials
Myofascial Pain SyndromesD009209EFO:1001054myofascial pain syndrome2ClinicalTrials
OsteoarthritisD010003EFO:0002506osteoarthritis1ClinicalTrials
Shoulder Impingement SyndromeD019534EFO:1001178shoulder impingement syndrome2ClinicalTrials
CataractD002386EFO:0001059cataract3ClinicalTrials
PainD010146EFO:0003843pain3ClinicalTrials
AnesthesiaD0007584DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
FDA
PruritusD011537HP:0000989Pruritus4ATC
TendinopathyD052256EFO:1001434Tendinopathy2ClinicalTrials

Clinical Data

ClinicalTrials.gov TETRACAINE
The Cochrane Collaboration TETRACAINE

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 CHEMBL698. 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 CHEMBL698. To view alerts please click here.

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01H - LOCAL ANESTHETICS
S01HA - Local anesthetics
S01HA03 - tetracaine

D - DERMATOLOGICALS
D04 - ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04A - ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04AB - Anesthetics for topical use
D04AB06 - tetracaine

C - CARDIOVASCULAR SYSTEM
C05 - VASOPROTECTIVES
C05A - AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
C05AD - Local anesthetics
C05AD02 - tetracaine

N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01B - ANESTHETICS, LOCAL
N01BA - Esters of aminobenzoic acid
N01BA03 - tetracaine

ChemSpider ChemSpider:GKCBAIGFKIBETG-UHFFFAOYSA-N
DailyMed tetracaine tetracaine hydrochloride
PubChem SID: 11111916 SID: 11111917 SID: 50111267 SID: 90340576
Wikipedia Tetracaine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL698



ACToR 94-24-6
BindingDB 50017659
Brenda 12706
ChEBI 9468
ChemicalBook CB9775567
DrugBank DB09085
DrugCentral 2610
eMolecules 594825
EPA CompTox Dashboard DTXSID1043883
FDA SRS 0619F35CGV
IBM Patent System 201E5EAF62CBBF2B3EBAD5F54A5ED1F2
KEGG Ligand C07526
LINCS LSM-4633
Mcule MCULE-8973928579
MolPort MolPort-001-783-476
Nikkaji J3.945D
NMRShiftDB 10008925
PDBe TE4
PubChem 5411
PubChem: Thomson Pharma 15221665
SureChEMBL SCHEMBL34714
ZINC ZINC000001530811

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