CHF-5074

Ligand id: 7339

Name: CHF-5074

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 37.3
Molecular weight 324.01
XLogP 4.51
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-(3,4-dichlorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid
Synonyms
CHF 5074 | CHF5074
Database Links
CAS Registry No. 749269-83-8 (source: Scifinder)
ChEMBL Ligand CHEMBL196945
GtoPdb PubChem SID 178103911
PubChem CID 9996409
RCSB PDB Ligand H50
Search Google for chemical match using the InChIKey LIYLTQQDABRNRX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LIYLTQQDABRNRX
Search UniChem for chemical match using the InChIKey LIYLTQQDABRNRX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LIYLTQQDABRNRX
Comments
CHF-5074 is a gamma-secretase modulator (GSM). These are small molecules (<600 Da) causing a product shift from Abeta42 toward shorter and less toxic Abeta fragments. Classical non-steroidal anti-inflammatory drugs (NSAIDs) constituted the first class of GSMs. This compound has advanced to phase I trials