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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL127810
CHEMBL127810
Compound Name MEPRYLCAINE
ChEMBL Synonyms MEPRYLCAINE | MEPRYLCAINE HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C14H21NO2

Additional synonyms for CHEMBL127810 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCNC(C)(C)COC(=O)c1ccccc1
Standard InChI InChI=1S/C14H21NO2/c1-4-10-15-14(2,3)11-17-13(16)12-8-6-5-7- ...
Download InChI
Standard InChI Key VXJABHHJLXLNMP-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL127810

Molecule Features

CHEMBL127810 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov MEPRYLCAINE
The Cochrane Collaboration MEPRYLCAINE

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 CHEMBL127810. 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
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.887
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.286

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.925
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 0.528

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
235.3 235.1572 2.74 7 38.33 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.15 3.11 1.37 1 17 0.74

Structural Alerts

There are 2 structural alerts for CHEMBL127810. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VXJABHHJLXLNMP-UHFFFAOYSA-N
PubChem SID: 11112456

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL127810



ACToR 495-70-5
ChEBI 93147
DrugCentral 3770
EPA CompTox Dashboard DTXSID70197810
FDA SRS 82YT7WU9PW
IBM Patent System F5625DCCB51FF1ED78C1582019D95C34
LINCS LSM-3460
Mcule MCULE-3989868788
Nikkaji J6.081J
PubChem 4065
PubChem: Thomson Pharma 15196300
SureChEMBL SCHEMBL24631
ZINC ZINC000002040457

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