General
Preferred name
PHA 543613 dihydrochloride
Synonyms
P&D ID
PD016436
CAS
478149-53-0
478148-58-2
Tags
available
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
PHA 543613 dihydrochloride is a potent and selective α7 nicotinic acetylcholine receptor (nAChR) agonist with rapid brain penetration and high oral bioavailability. PHA 543613 is potentially used for the treatment of cognitive deficits in schizophrenia.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Molecular Weight
343.09
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
2
cLogP
2.5
TPSA
58.37
Fraction CSP3
0.47
Chiral centers
1.0
Largest ring
6.0
QED
0.91
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
nAChR agonist
Source data
