GNE-9605   Click here for help

GtoPdb Ligand ID: 7919

Synonyms: GNE 9605 | GNE9605
Compound class: Synthetic organic
Comment: 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.
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 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 80.13
Molecular weight 449.14
XLogP 2.68
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CNc1nc(ncc1C(F)(F)F)Nc1cnn(c1Cl)C1CCN(CC1F)C1COC1
Isomeric SMILES CNc1nc(ncc1C(F)(F)F)Nc1cnn(c1Cl)[C@H]1CCN(C[C@@H]1F)C1COC1
InChI InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
GNE 9605 | GNE9605
Database Links Click here for help
CAS Registry No. 1536200-31-3
ChEMBL Ligand CHEMBL3122117
GtoPdb PubChem SID 249565602
PubChem CID 76328936
Search Google for chemical match using the InChIKey PUXPEQJKNAWNQA-AAEUAGOBSA-N
Search Google for chemicals with the same backbone PUXPEQJKNAWNQA
UniChem Compound Search for chemical match using the InChIKey PUXPEQJKNAWNQA-AAEUAGOBSA-N
UniChem Connectivity Search for chemical match using the InChIKey PUXPEQJKNAWNQA-AAEUAGOBSA-N