GNE-0877

Ligand id: 9393

Name: GNE-0877

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 91.45
Molecular weight 339.14
XLogP 1.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
Synonyms
compound 11 [PMID: 24354345] | GNE0877
Database Links
PubChem CID 69093374
Search Google for chemical match using the InChIKey ZPPUMAMZIMPJGP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZPPUMAMZIMPJGP
Search UniChem for chemical match using the InChIKey ZPPUMAMZIMPJGP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZPPUMAMZIMPJGP
Comments
GNE-0877 is a potent and selective, brain penetrant small molecule inhibitor of LRRK2 (leucine-rich repeat kinase 2) [1], a kinase whose aberrant activation is identified in a subset of patients with Parkinson's disease. LRRK2 ihnibitors are being developed as potential disease-modifying agents as therapeutics for Parkinson's disease.