Drug-likeness filter に関する論文。

 

※随時追加

 

Lipinski's rule / Rule of 5 (Ro5) / Drug

 

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Adv. Drug Del. Rev. 1997, 23, 3.

 

Extended Ro5 (eRo5) / Drug

 

Molecular Properties That Influence the Oral Bioavailability of Drug Candidates

J. Med. Chem. 2002, 45, 2615.

 

Beyond Ro5 (bRo5) / Drug

 

How Beyond Rule of 5 Drugs and Clinical Candidates Bind to Their Targets

J. Med. Chem. 2016, 59, 2312.

 

Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates

Chem. Biol. 2014, 21, 1115.

 

Oprea's rule / Drug, Lead

 

Pursuing the leadlikeness concept in pharmaceutical research

Curr. Opin. Chem. Biol. 2004, 8, 255.

 

3/75 rule <Pfizer> / Drug

 

Physiochemical drug properties associated with in vivo toxicological outcomes

Bioorg. Med. Chem. Lett. 2008, 18, 4872.

 

4/400 rule <GSK> / Drug

 

Generation of a Set of Simple, Interpretable ADMET Rules of Thumb

J. Med. Chem. 2008, 51, 817.

 

Golden Triangle / Drug

 

Using the Golden Triangle to optimize clearance and oral absorption

Bioorg. Med. Chem. Lett. 2009, 19, 5560.

 

Fsp3 Approach / Drug

 

Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success

J. Med. Chem. 2009, 52, 6752. 

 

SAR Exploration Guided by LE and Fsp3: Discovery of a Selective and Orally Efficacious RORγ Inhibitor

ACS Med. Chem. Lett. 2016, 7, 23.

 

CNS Drug / Drug

 

CNS Physicochemical Property Space Shaped by a Diverse Set of Molecules with 

Experimentally Determined Exposure in the Mouse Brain

J. Med. Chem. 2017, 60, 5943.

 

CNS Drug Design: Balancing Physicochemical Properties for Optimal Brain Exposure

J. Med. Chem. 2015, 58, 2584.

 

Oral Macrocycle / Drug

 

Thermodynamic and Structural Effects of Macrocyclic Constraints in Protein−Ligand Interactions

ACS Med. Chem. Lett. 2010, 1, 448.

 

Quantifying the chameleonic properties of macrocycles and other high-molecular-weight drugs

Drug Discov. Today 2016, 21, 712.

 

Rule of 4 (Ro4) / Lead

 

A ‘Rule of Three’ for fragment-based lead discovery?

Drug Discov. Today 2003, 8, 876.

 

Rule of 3 (Ro3) / Fragment

 

A ‘Rule of Three’ for fragment-based lead discovery?

Drug Discov. Today 2003, 8, 876.

 

Rule of 2 (Ro2) / Building block

 

Designing novel building blocks is an overlooked strategy to improve compound quality

Drug Discov. Today 2015, 20, 11. 

 

■ Overview

 

Present drug-likeness filters in medicinal chemistry during the hit and lead optimization process: how far can they be simplified?

Drug Discov. Today 2018, 23, 605.

 

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