General
Preferred name
PMID23981898C11d
Synonyms
compound 11d [PMID: 23981898] ()
P&D ID
PD048025
Tags
drug candidate
Drug indication
Cardiovascular disease
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
Novartis optmised BACE1 inhibitor (11d) with potent cellular activity (IC50 10 nM) and a PDB structure. A single oral dose of 60 μmol/kg effected significant reduction in brain Aβ in APP51/16 transgenic mice .
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Molecular Weight
560.23
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
9
Ring Count
3
Aromatic Ring Count
2
cLogP
4.1
TPSA
93.81
Fraction CSP3
0.56
Chiral centers
5.0
Largest ring
6.0
QED
0.32
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
