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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 Csg452 | Tofogliflozin
Max Phase 0
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 ...
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Standard InChI InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22 ...
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Standard InChI Key VWVKUNOPTJGDOB-BDHVOXNPSA-N

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

Clinical Data

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

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL2110731

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
CHEMBL4979 Sodium/glucose cotransporter 1 Homo sapiens 1.000
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 1.000
CHEMBL1781 DNA topoisomerase I Homo sapiens 0.207

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
CHEMBL1770047 Low affinity sodium-glucose cotransporter Homo sapiens 1.000

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 NEUTRAL


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
9.43 - 1.92 1.92 2 28 0.64

Compound Cross References

ChemSpider ChemSpider:VWVKUNOPTJGDOB-BDHVOXNPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110731



BindinDB 50396779
FDA SRS 554245W62T
IBM Patent System D18CEBCC6A0F256E593ACB7A7EED8A20
IBM Patents US20090030006 US20070275907 US7803778 US7767651
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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