GNE-7915   

GtoPdb Ligand ID: 8073

Synonyms: GNE 7915 | GNE7915
Compound class: Synthetic organic
Comment: GNE-7915 is a highly potent, selective, and brain-penetrating inhibitor of leucine-rich repeat kinase 2 (LRRK2) [2]. It was tested in preclinical studies.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 88.61
Molecular weight 443.16
XLogP 2.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCNc1nc(ncc1C(F)(F)F)Nc1cc(F)c(cc1OC)C(=O)N1CCOCC1
Isomeric SMILES CCNc1nc(ncc1C(F)(F)F)Nc1cc(F)c(cc1OC)C(=O)N1CCOCC1
InChI InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)
InChI Key XCFLWTZSJYBCPF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
Synonyms
GNE 7915 | GNE7915
Database Links
BindingDB Ligand 50398668
CAS Registry No. 1351761-44-8
ChEMBL Ligand CHEMBL2178134
GtoPdb PubChem SID 249565753
PubChem CID 58539171
RCSB PDB Ligand A0T
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