PF-06447475   Click here for help

GtoPdb Ligand ID: 8054

PDB Ligand
Compound class: Synthetic organic
Comment: PF-06447475 has been identified as a potent, brain-pentrant inhibitor of the serine-threonine kinase, leucine-rich repeat kinase 2 (LRRK2) [1] . The compound does not have favourable pharmacokinetic properties to progress clinical development, but it is a useful tool for the investigation of central and peripheral LRRK2 function.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 77.83
Molecular weight 305.13
XLogP 2.85
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1cccc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1
Isomeric SMILES N#Cc1cccc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1
InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)
Bioactivity Comments
IC50 in whole cell assays in HEK293 cells expressing LRRK2 is 25nM [1]. Off-targets include the serine/threonine kinases MST2 (IC50 22nM) and MST4 (IC50 178nM) [1].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
leucine rich repeat kinase 2 Primary target of this compound Hs Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3x10-9 M) [1]
Description: Biochemical assay using Invitrogen's Lantha Screen technology.