LY2811376

Ligand id: 6936

Name: LY2811376

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 89.46
Molecular weight 320.09
XLogP 2.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
Synonyms
LY 2811376 | LY-2811376
Database Links
CAS Registry No. 1194044-20-6 (source: PubChem)
ChEMBL Ligand CHEMBL2333941
PubChem CID 44251605
RCSB PDB Ligand 4B2
Search Google for chemical match using the InChIKey MJQMRGWYPNIERM-HNNXBMFYSA-N
Search Google for chemicals with the same backbone MJQMRGWYPNIERM
Search UniChem for chemical match using the InChIKey MJQMRGWYPNIERM-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone MJQMRGWYPNIERM
SynPHARM 78985 (in complex with beta-secretase 1)
Comments
LY2811376 is a non-peptidic BACE1 inhibitor for Alzheimer's Disease. Aβ reductions in lumbar CSF were measured after oral dosing in humans but development was halted because of toxicology findings but these may not be related to BACE1 inhibition.