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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110731
CHEMBL2110731
Compound Name TOFOGLIFLOZIN
ChEMBL Synonyms TOFOGLIFLOZIN | CSG452
Max Phase 3
Trade Names
Molecular Formula C22H26O6

Additional synonyms for CHEMBL2110731 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1ccc(Cc2ccc3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3 ...
Download SMILES
Standard InChI InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22 ...
Download InChI
Standard InChI Key VWVKUNOPTJGDOB-BDHVOXNPSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL2110731

Molecule Features

CHEMBL2110731 compound icon
Drug Type:Natural Product 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication
DIABETES MELLITUS, TYPE 2D003924EFO:0001360TYPE II DIABETES MELLITUS4
NON-ALCOHOLIC FATTY LIVER DISEASED065626EFO:0003095NON-ALCOHOLIC FATTY LIVER DISEASE4

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 CHEMBL2110731. 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
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 1.000
CHEMBL1781 DNA topoisomerase I Homo sapiens 0.204

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 1.000
CHEMBL1075302 Sodium/glucose cotransporter 2 Mus musculus 0.769

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
386.4 386.1729 2.13 4 99.38 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.09 8.51 -.59 -4.16 2 28 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL2110731. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VWVKUNOPTJGDOB-BDHVOXNPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110731



BindingDB 50396779
EPA CompTox Dashboard DTXSID90238097
FDA SRS 554245W62T
IBM Patent System D18CEBCC6A0F256E593ACB7A7EED8A20
Nikkaji J2.908.968J
PubChem 46908929
SureChEMBL SCHEMBL903156

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