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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL550781
CHEMBL550781
Compound Name DEXLOXIGLUMIDE
ChEMBL Synonyms DEXLOXIGLUMIDE
Max Phase 3
Trade Names
Molecular Formula C21H30Cl2N2O5

Additional synonyms for CHEMBL550781 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1
Standard InChI InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18( ...
Download InChI
Standard InChI Key QNQZBKQEIFTHFZ-GOSISDBHSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL550781

Molecule Features

CHEMBL550781 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov DEXLOXIGLUMIDE
The Cochrane Collaboration DEXLOXIGLUMIDE

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 CHEMBL550781. 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
CHEMBL3501 Cholecystokinin A receptor Cavia porcellus 1.000
CHEMBL2001 Purinergic receptor P2Y12 Homo sapiens 1.000
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.996
CHEMBL4564 Dihydrofolate reductase Mus musculus 0.992
CHEMBL3764 Urotensin II receptor Homo sapiens 0.986
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 0.981



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3501 Cholecystokinin A receptor Cavia porcellus 1.000
CHEMBL2001 Purinergic receptor P2Y12 Homo sapiens 1.000
CHEMBL2902 Dihydrofolate reductase Lactobacillus casei 1.000
CHEMBL4564 Dihydrofolate reductase Mus musculus 0.999
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.998
CHEMBL3764 Urotensin II receptor Homo sapiens 0.998
CHEMBL3508 Cholecystokinin B receptor Rattus norvegicus 0.997
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 0.248
CHEMBL3972 GAR transformylase Homo sapiens 0.223
CHEMBL298 Cholecystokinin B receptor Homo sapiens 0.200

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
461.4 460.1532 3.54 14 95.94 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.47 - 4.37 1.5 1 30 0.41

Structural Alerts

There are 2 structural alerts for CHEMBL550781. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QNQZBKQEIFTHFZ-GOSISDBHSA-N
Wikipedia Dexloxiglumide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL550781



ACToR 119817-90-2
ChEBI 135747
DrugBank DB04856
DrugCentral 834
EPA CompTox Dashboard DTXSID50152604
FDA SRS 69DY40RH9B
Guide to Pharmacology 889
IBM Patent System 6A087D065406812012C274FA278BF071
MolPort MolPort-006-170-001
Nikkaji J325.808D
PubChem 65937
PubChem: Drugs of the Future 12014679
PubChem: Thomson Pharma 14760423
SureChEMBL SCHEMBL366142
ZINC ZINC000003801027

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