compound J [PMID: 21907142]

Ligand id: 7854

Name: compound J [PMID: 21907142]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 105.67
Molecular weight 378.07
XLogP 3.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
Synonyms
Example 1 (WO2011029803)
Database Links
ChEMBL Ligand CHEMBL2347211
PubChem CID 50938551
Search Google for chemical match using the InChIKey VVZZZUNCWSTIOI-KRWDZBQOSA-N
Search Google for chemicals with the same backbone VVZZZUNCWSTIOI
Search UniChem for chemical match using the InChIKey VVZZZUNCWSTIOI-KRWDZBQOSA-N
Search UniChem for chemicals with the same backbone VVZZZUNCWSTIOI
Comments
First published reports of this compound described it as a BACE1 inhibitor, but it was later identified as a BACE2 inhibitor as example 1 (with IC50 9 nM) from patent WO2011029803 [1]. It is also published as compound J from the BACE2 diabetes target paper [2].