CHF-5074   Click here for help

GtoPdb Ligand ID: 7339

Synonyms: CHF 5074 | CHF5074
PDB Ligand
Compound class: Synthetic organic
Comment: 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
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 37.3
Molecular weight 324.01
XLogP 5.38
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES OC(=O)C1(CC1)c1ccc(c(c1)F)c1ccc(c(c1)Cl)Cl
Isomeric SMILES OC(=O)C1(CC1)c1ccc(c(c1)F)c1ccc(c(c1)Cl)Cl
InChI InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[4-(3,4-dichlorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid
Synonyms Click here for help
CHF 5074 | CHF5074
Database Links Click here for help
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
UniChem Compound Search for chemical match using the InChIKey LIYLTQQDABRNRX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LIYLTQQDABRNRX-UHFFFAOYSA-N