Targeted and
Specialty Libraries

Nuclear Receptor
Nuclear Receptor Focused, Lead-like and Drug-like Compounds

The NHRCore™ Library is a computationally selected library of more than 2,000 lead-like small
molecules. NHRCore compounds were selected for synthesis based on similarity to 3D pharmacophore
fingerprints generated from published compounds with activity against nuclear hormone receptor
targets. More than 250 novel scaffolds are represented in the NHRCore Library, and in-stock analogs are
available for any compound identified as a hit. Clients can purchase the full NHRCore Library or custom
select a subset of compounds.

Highlights
  • Lead-like and Drug-like compounds based on novel scaffolds
  • Potential activity against a range of nuclear receptors
  • Custom select from more than 2,000 compounds

View the NHRCore Library product sheet

Method

Compounds showing activity against nuclear hormone receptor targets were extracted from public,
scientific databases. 3D conformers were generated for each agonist or antagonist compound, and 3D
pharmacophore fingerprints were generated from the 3D conformers. These fingerprints were then
compared to the 3D pharmacophore fingerprints generated for virtual compounds based on novel
scaffolds designed by ChemBridge. Virtual compounds with a high similarity to a published active
fingerprint were synthesized and included in the NHRCore Library selection.

Potential Targets

The published actives used to generate the 3D pharmacophore fingerprints showed activity against the
following nuclear receptors:

  • Androgen Receptor
  • Estrogen Receptor
  • Farnesoid X Receptor
  • Glucocorticoid Receptor
  • Liver X Receptor alpha
  • Liver X Receptor beta
  • Peroxisome Proliferator-Activated Receptor (PPAR) alpha
  • Peroxisome Proliferator-Activated Receptor (PPAR) gamma
  • Peroxisome Proliferator-Activated Receptor (PPAR) delta
  • Progesterone Receptor
  • Retinoic Acid Receptor (RAR) alpha
  • Retinoic Acid Receptor (RAR) beta
  • Retinoic Acid Receptor (RAR) gamma
  • Thyroid Hormone Receptor
  • Vitamin D Receptor
Characteristics

NHRCore Library compounds are lead-like and drug-like and have the following physiochemical and
calculated property averages and ranges:

  • Molecular Weight Average: 345
  • Fsp3 Average: 0.5
  • clogP Average: 2.0
  • TPSA Average: 60
  • H-bond Donor Count Average: 0.4
  • H-bond Acceptor Count Average: 3.6
  • Rotatable Bond Count Average: 4.2
Format
  • Download structures and custom select compounds from the NHRCore Library SDfile
  • Compounds can be provided in 96-well and 384-well format
  • Amounts as low as 0.25 micromole (25ul of 10mM DMSO solution) available
  • Compounds are available as DMSO solutions or dry in micromole or mg amounts

For more information or a file of compound structures, please contact ChemBridge Sales