General
Preferred name
PMID22911925C2
Synonyms
compound 2 [PMID: 22911925] ()
P&D ID
PD048093
Tags
drug candidate
Drug indication
Diabetic complication
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
A hydroxyethylamine-based inhibitor of BACE1 from Amgen capable of lowering Aβ levels in the brains of rats after oral administration . Also has a PDB structure .
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Molecular Weight
592.31
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
3
Rotatable Bonds
11
Ring Count
5
Aromatic Ring Count
3
cLogP
5.25
TPSA
105.6
Fraction CSP3
0.55
Chiral centers
4.0
Largest ring
6.0
QED
0.28
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
