compound 15 [PMID: 25699151]

Ligand id: 9982

Name: compound 15 [PMID: 25699151]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 91.85
Molecular weight 448.13
XLogP 3.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4S)-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluoro-7'-(3-fluoropyridin-2-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
Synonyms
example 385 [US8883782]
Comments
This Amgen aminooxazoline xanthene BACE1 inhibitor was selected as one of the most potent leads ever reported (up to June 2018). It has a sub-nanomolar IC50 [1].
Database Links
ChEMBL Ligand CHEMBL3394220
PubChem CID 67436561
Search Google for chemical match using the InChIKey HGRWHBQLRXWSLV-DEOSSOPVSA-N
Search Google for chemicals with the same backbone HGRWHBQLRXWSLV
Search UniChem for chemical match using the InChIKey HGRWHBQLRXWSLV-DEOSSOPVSA-N
Search UniChem for chemicals with the same backbone HGRWHBQLRXWSLV