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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL507419
CHEMBL507419
Compound Name METAHEXAMIDE
ChEMBL Synonyms METAHEXAMIDE | METAHEXANAMIDE | GLYHEXYLAMIDE
Max Phase 0
Trade Names
Molecular Formula C14H21N3O3S

Additional synonyms for CHEMBL507419 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1N)S(=O)(=O)NC(=O)NC2CCCCC2
Standard InChI InChI=1S/C14H21N3O3S/c1-10-7-8-12(9-13(10)15)21(19,20)17-14( ...
Download InChI
Standard InChI Key XXYTXQGCRQLRHA-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL507419

Molecule Features

CHEMBL507419 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 METAHEXAMIDE
The Cochrane Collaboration METAHEXAMIDE

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 CHEMBL507419. 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
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.623
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.307

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3559 Steryl-sulfatase Homo sapiens 0.808
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.709
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.344

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
311.4 311.1304 2.12 3 109.66 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.49 2.51 1.47 -.4 1 21 0.74

Structural Alerts

There are 5 structural alerts for CHEMBL507419. To view alerts please click here.

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A10 - DRUGS USED IN DIABETES
A10B - BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
A10BB - Sulfonylureas
A10BB10 - metahexamide

ChemSpider ChemSpider:XXYTXQGCRQLRHA-UHFFFAOYSA-N
Wikipedia Metahexamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL507419



ACToR 565-33-3
ChEBI 135328
DrugCentral 1717
eMolecules 35865974
EPA CompTox Dashboard DTXSID3023267
FDA SRS T3U6F5D722
IBM Patent System 8BC7EF47513A960187C760CC0C32D9C6
Nikkaji J9.421H
PubChem 11259
PubChem: Thomson Pharma 14898881
SureChEMBL SCHEMBL218071
ZINC ZINC000003831047

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