NB-360

Ligand id: 9822

Name: NB-360

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 113.39
Molecular weight 449.15
XLogP 2.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
Comments
Due to good brain penetration, oral doses of Novartis NB-360 completely block amyloid-β deposition in an APP transgenic mouse model [2]. Data across species suggest similar treatment effects can possibly be achieved in humans. The reduced neuroinflammation upon amyloid reduction by NB-360 treatment supports the notion that targeting amyloid-β pathology can have beneficial downstream effects on the progression of Alzheimer's disease. Note this inhibitor is equipotent against BACE2 in vitro. As of 2018 there are no reports of clinical development and there is a recent paper describing impairment of synaptic plasticity in mice via Seizure Protein 6 [3]. One of the Novartis patents has an SAR set of 184 IC50 values [1].
Database Links
ChEMBL Ligand CHEMBL3261067
GtoPdb PubChem SID 354702293
PubChem CID 66665322
Search Google for chemical match using the InChIKey BQFHTVUWPJXLOW-VQTJNVASSA-N
Search Google for chemicals with the same backbone BQFHTVUWPJXLOW
Search UniChem for chemical match using the InChIKey BQFHTVUWPJXLOW-VQTJNVASSA-N
Search UniChem for chemicals with the same backbone BQFHTVUWPJXLOW