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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1087
CHEMBL1087
Compound Name MEPIVACAINE
ChEMBL Synonyms ISOCAINE HYDROCHLORIDE | POLOCAINE | Carbocaine | ARESTOCAINE HYDROCHLORIDE | CARBOCAINE | SCANDONEST | MEPIVACAINE | Polocaine-Mpf | SCANDONEST PLAIN | Polocaine | POLOCAINE-MPF | SCANDICAINE | MEPIVACAINE HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names MEPIVACAINE HYDROCHLORIDE | SCANDICAINE | POLOCAINE-MPF | SCANDONEST PLAIN | ARESTOCAINE HYDROCHLORIDE | CARBOCAINE | SCANDONEST | POLOCAINE | ISOCAINE HYDROCHLORIDE
Molecular Formula C15H22N2O

Additional synonyms for CHEMBL1087 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCCCC1C(=O)Nc2c(C)cccc2C
Standard InChI InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5- ...
Download InChI
Standard InChI Key INWLQCZOYSRPNW-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • 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


CHEMBL1087

Molecule Features

CHEMBL1087 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:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PainD010146EFO:0003843pain3ClinicalTrials

Clinical Data

ClinicalTrials.gov MEPIVACAINE
The Cochrane Collaboration MEPIVACAINE

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 CHEMBL1087. 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 0.846
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.533
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.343

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 0.915
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.624
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.457

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
246.4 246.1732 2.73 2 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
- 8.29 1.78 1.28 1 18 0.87

Structural Alerts

There are no structural alerts for CHEMBL1087

Compound Cross References

ATC N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01B - ANESTHETICS, LOCAL
N01BB - Amides
N01BB03 - mepivacaine

N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01B - ANESTHETICS, LOCAL
N01BB - Amides
N01BB53 - mepivacaine, combinations

ChemSpider ChemSpider:INWLQCZOYSRPNW-UHFFFAOYSA-N
DailyMed mepivacaine hydrochloride
Wikipedia Mepivacaine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1087



ACToR 22801-44-1 34811-66-0 96-88-8
BindingDB 50417964
ChEBI 6759
ChemicalBook CB9907386 CB8460318
DrugBank DB00961
DrugCentral 1700
eMolecules 902098
EPA CompTox Dashboard DTXSID9023259
Guide to Pharmacology 7224
Human Metabolome Database HMDB0015096
IBM Patent System 6FFAFA6ABFF8CA2598346FED71E4947D
KEGG Ligand C07528
LINCS LSM-4306
Mcule MCULE-7228754802
MolPort MolPort-005-935-383
Nikkaji J4.726K
PharmGKB PA164748741
PubChem 4062
PubChem: Thomson Pharma 14749722
SureChEMBL SCHEMBL25314

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