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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 FBB 4231 | GLISOXEPIDE | BAY B 4231 | RP 22410
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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

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 0.999
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.996
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.976
CHEMBL3898 Bone morphogenetic protein 1 Homo sapiens 0.974
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.923
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.731
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.556
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.496



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.981
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.978
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.960
CHEMBL3594 Carbonic anhydrase IX Homo sapiens 0.954
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.839
CHEMBL3898 Bone morphogenetic protein 1 Homo sapiens 0.806
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.596
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.232

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 NEUTRAL


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
13.5 1.6 -2.34 -2.34 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
DrugBank DB01289
eMolecules 1104864
EPA CompTox Dashboard DTXSID9023097
FDA SRS H7SC0I332I
Human Metabolome Database HMDB15406
IBM Patent System 921AC5A9DEB29AADED0B226FD14ED1D2
Nikkaji J20.337H
PubChem 32778
PubChem: Thomson Pharma 15478163
SureChEMBL SCHEMBL48892

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