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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2028665
CHEMBL2028665
Compound Name REMOGLIFLOZIN ETABONATE
ChEMBL Synonyms REMOGLIFLOZIN ETABONATE | GSK-189075A
Max Phase 2
Trade Names
Molecular Formula C26H38N2O9

Additional synonyms for CHEMBL2028665 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)OC[C@H]1O[C@@H](Oc2nn(C(C)C)c(C)c2Cc3ccc(OC(C)C)cc3) ...
Download SMILES
Standard InChI InChI=1S/C26H38N2O9/c1-7-33-26(32)34-13-20-21(29)22(30)23(31 ...
Download InChI
Standard InChI Key UAOCLDQAQNNEAX-ABMICEGHSA-N

Sources

  • Clinical Candidates
  • Patent Bioactivity Data
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2028665

Molecule Features

CHEMBL2028665 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Sodium/glucose cotransporter 2 inhibitor Sodium/glucose cotransporter 2 PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus2ClinicalTrials

Clinical Data

ClinicalTrials.gov REMOGLIFLOZIN ETABONATE
The Cochrane Collaboration REMOGLIFLOZIN ETABONATE

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 CHEMBL2028665. 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
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 1.000
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 0.918
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 0.215

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 1.000
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 0.920
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 0.226

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
522.6 522.2577 2.51 10 141.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 3 2 11 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.58 2.12 1.5 1.5 2 37 0.4

Structural Alerts

There are 3 structural alerts for CHEMBL2028665. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UAOCLDQAQNNEAX-ABMICEGHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2028665



ACToR 442201-24-3
DrugBank DB12935
FDA SRS TR0QT6QSUL
IBM Patent System 06AC52081B43152CE9A217B96B9E6263
Nikkaji J2.565.732B
PubChem 9871420
PubChem: Drugs of the Future 87550984
PubChem: Thomson Pharma 14836433 15230843
SureChEMBL SCHEMBL721678
ZINC ZINC000003979756

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