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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1808388
CHEMBL1808388
Compound Name BEXAGLIFLOZIN
ChEMBL Synonyms EGT0001442 | BEXAGLIFLOZIN | THR-1442 | EGT1442
Max Phase 3
Trade Names
Molecular Formula C24H29ClO7

Additional synonyms for CHEMBL1808388 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2ccc(Cl)c(Cc3ccc(O ...
Download SMILES
Standard InChI InChI=1S/C24H29ClO7/c25-19-8-3-15(24-23(29)22(28)21(27)20(13 ...
Download InChI
Standard InChI Key BTCRKOKVYTVOLU-SJSRKZJXSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1808388

Molecule Features

CHEMBL1808388 compound icon
Drug Type:Natural Product-derived 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

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Diabetes MellitusD003920EFO:0000400diabetes mellitus3ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus3ClinicalTrials

Clinical Data

ClinicalTrials.gov BEXAGLIFLOZIN
The Cochrane Collaboration BEXAGLIFLOZIN

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 CHEMBL1808388. 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
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 1.000
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 1.000
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 0.998
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.843

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 1.000
CHEMBL3884 Sodium/glucose cotransporter 2 Homo sapiens 1.000
CHEMBL1075302 Sodium/glucose cotransporter 2 Mus musculus 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 1.000
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 1.000
CHEMBL4837 Adhesin protein fimH Escherichia coli K-12 0.999
CHEMBL2982 Adenosine kinase Toxoplasma gondii 0.873
CHEMBL3589 Adenosine kinase Homo sapiens 0.862

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
464.9 464.1602 2 9 108.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.23 - 1.67 1.67 2 32 0.42

Structural Alerts

There are 1 structural alerts for CHEMBL1808388. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BTCRKOKVYTVOLU-SJSRKZJXSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1808388



BindingDB 50349249
ChemicalBook CB92650633
DrugBank DB12236
FDA SRS EY00JF42FV
IBM Patent System 8902DE7F6DB1C2C0C47DB8B92DF0E584
MolPort MolPort-044-561-857
Nikkaji J3.260.958I
PubChem 25195624
PubChem: Thomson Pharma 57305193
SureChEMBL SCHEMBL302200
ZINC ZINC000059047505

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