Epigenetics Compound Library

• Quantity: well-chosen 1360 compounds related to epigenetic regulation for research in epigenetics, high throughput screening (HTS) and high content screening (HCS) for new drugs;
• Targets include HDAC, SIRT, HAT, and HMT, etc.;
• Detailed compound information with structure, target, activity, IC50 value, and biological activity description, providing reference for your experimental design;
• NMR and LCMS/HPLC validated to ensure high purity and quality.
• Structurally diverse, medicinally active, and cell permeable;
• NMR and HPLC validated to ensure high purity and quality;

High-Standard Entry Criteria

TargetMol’s Epigenetics Compound Library is curated with stringent entry criteria to ensure that every compound in the collection is structurally well-defined and of high purity. Multiple analytical techniques—such as NMR, HPLC, and LCMS—are employed to verify compound integrity. Through a multi-layered screening process, we exclude mixtures, polymers, and other compounds with undefined structures.

Significant Structural Diversity

TargetMol’s Epigenetics Compound Library features remarkable structural diversity, offering significant advantages in drug discovery. Based on an 85% MACCS fingerprint similarity analysis, the library can be divided into 1,052 clusters, covering a wide range of chemical space. The collection encompasses compounds of varying complexity, from simple to intricate chemical structures. This diversity greatly expands the potential for identifying lead compounds with high affinity and specificity toward target proteins, thereby driving drug innovation. Whether addressing traditional drug targets or emerging, more challenging ones, the Epigenetics Library provides a rich source of candidate compounds, accelerating the pace of drug development.

Superior Drug-likeness

71% compounds in this library comply with Lipinski’s “Rule of Five” (Ro5), indicating favorable bioavailability and permeability.

Multidimensional Pharmacokinetic Analysis

The Epigenetics Compound Library underwent multidimensional ADMET prediction and evaluation, with a systematic analysis of the following six key pharmacokinetic parameters: blood-brain barrier permeability, cardiac toxicity risk (HERG K+ channel inhibition), plasma protein binding affinity, oral absorption, intestinal absorption, and dermal absorption.