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SGLT2 Targeted Library

Sodium Glucose Cotransporter 2 Focused Library The sodium glucose cotransporter 2 (SGLT2) reabsorbs most of the glucose filtered by the kidneys. SGLT2 inhibitors reduce glucose reabsorption, thereby lowering blood glucose levels in patients with diabetes [1]. Type 2 diabetes is a chronic disease with disabling micro- and macrovascular complications that lead to excessive morbidity and premature mortality.

Although insulin resistance and insulin secretory defects play a major role in the pathogenesis of hyperglycemia, several other metabolic defects contribute to the initiation/worsening of the diabetic state. Prominent among these is increased renal glucose reabsorption, which is maladaptive in patients with diabetes. Instead of an increase in renal glucose excretion, which could ameliorate hyperglycemia, there is an increase in renal glucose reabsorption, which helps sustain hyperglycemia [2].

OTAVAchemicals offers Sodium Glucose Cotransporter 2 Targeted Library (687 compounds in total), which is a special screening library that contains compounds with predicted SGLT2 inhibitory activity.

The compounds have been selected with two Bayesian models based on most active template compounds (SGLT2 inhibitors) taken from ChEMBL database. The first model was based on FCFP6 fingerprints, the second one – on ECFP6. Molecular descriptors, such as LogP, molecular weight, number of hydrogen donors and acceptors, number of rotatable bonds, number of rings and molecular polar surface area were involved in the construction of the models for more accuracy. 

At the final stage, OTAVAchemicals Screening Compounds Collection was screened against these models and top-scored compounds were selected.

Thus, the compounds from the Sodium Glucose Cotransporter 2 Targeted Library match physical and structural parameters of typical sodium glucose cotransporter 2 inhibitors and contain important molecular fragments, required for SGLT2 binding.

This library provides an excellent basis for antidiabetic drug discovery projects.

  1. Novikov A, Vallon V., Sodium glucose cotransporter 2 inhibition in the diabetic kidney: an update, Curr Opin Nephrol Hypertens. 2016 Jan;25(1):50-8. doi: 10.1097/MNH.0000000000000187.
  2. Mudaliar S, Polidori D, Zambrowicz B, Henry RR, Sodium-Glucose Cotransporter Inhibitors: Effects on Renal and Intestinal Glucose Transport: From Bench to Bedside, Diabetes Care. 2015 Dec;38(12):2344-53. doi: 10.2337/dc15-0642.

 

All compounds are in stock, cherry-picking is available.

 

The library (DB, SD, XLS, PDF format) as well as the price-list is available on request. Feel free to contact us or use on-line form below to send an inquiry if you are interested to obtain this library or if you need more information.

 


 

 

The summary of the Sodium Glucose Cotransporter 2 Targeted Library characteristics:

Parameter Average
MW 404.4
ClogP 3.02
Number of Rotatable Bonds 5.5
Number of H Donors 1.3
Number of H Acceptors 5.3
PSA 97.4
Number of Rings  3.6

 

Molecular Weight ClogP Number of Rotatable Bonds Number of H Donors Number of H Acceptors PSA

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