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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106618
CHEMBL2106618
Compound Name GLISOXEPIDE
ChEMBL Synonyms BAY B 4231 | RP 22410 | FBB 4231 | GLISOXEPIDE
Max Phase 0
Trade Names
Molecular Formula C20H27N5O5S

Additional synonyms for CHEMBL2106618 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1onc(c1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NN3CCCCCC3
Standard InChI InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16- ...
Download InChI
Standard InChI Key ZKUDBRCEOBOWLF-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2106618

Molecule Features

CHEMBL2106618 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 GLISOXEPIDE
The Cochrane Collaboration GLISOXEPIDE

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 CHEMBL2106618. 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
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.997
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.993
CHEMBL3898 Bone morphogenetic protein 1 Homo sapiens 0.968
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.964
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.878
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.710
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.492
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.410



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.972
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.942
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.937
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.926
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.812
CHEMBL3898 Bone morphogenetic protein 1 Homo sapiens 0.785
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.594

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
449.5 449.1733 1.75 7 142.01 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 10 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.92 3.21 .81 -.57 2 31 0.59

Structural Alerts

There are 2 structural alerts for CHEMBL2106618. 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
A10BB11 - glisoxepide

ChemSpider ChemSpider:ZKUDBRCEOBOWLF-UHFFFAOYSA-N
PubChem SID: 144205252

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106618



ACToR 25046-79-1
ChEBI 135731
DrugBank DB01289
DrugCentral 1305
eMolecules 1104864
EPA CompTox Dashboard DTXSID9023097
FDA SRS H7SC0I332I
Human Metabolome Database HMDB15406
IBM Patent System 921AC5A9DEB29AADED0B226FD14ED1D2
Nikkaji J20.337H
PharmGKB PA164743233
PubChem 32778
PubChem: Thomson Pharma 15478163
SureChEMBL SCHEMBL48892
ZINC ZINC000000537804

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