GNE-9605

Ligand id: 7919

Name: GNE-9605

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 80.13
Molecular weight 449.14
XLogP 1.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
Synonyms
GNE 9605 | GNE9605
Database Links
CAS Registry No. 1536200-31-3
ChEMBL Ligand CHEMBL3122117
PubChem CID 76328936
Search Google for chemical match using the InChIKey PUXPEQJKNAWNQA-AAEUAGOBSA-N
Search Google for chemicals with the same backbone PUXPEQJKNAWNQA
Search UniChem for chemical match using the InChIKey PUXPEQJKNAWNQA-AAEUAGOBSA-N
Search UniChem for chemicals with the same backbone PUXPEQJKNAWNQA
Comments
GNE-9605 is a highly potent and selective leucine-rich repeat kinase 2 (LRRK2) inhibitor [1]. The compound is able to cross the blood-brain barrier identifying it as a potential lead in developing a novel disease-modifying Parkinson’s disease therapy.