General
Preferred name
ACETYLDIMETHYLPIPERAZINIUM IODIDE
Synonyms
4-Acetyl-1,1-dimethylpiperazinium iodide ()
P&D ID
PD022013
CAS
75667-84-4
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
Nicotinic agonist
(Tocriscreen Total)
DESCRIPTION
4-Acetyl-1,1-dimethylpiperazinium iodide is a structural analog of acetylcholine, which is a nicotinic (AChR) agonist with Ki value of 29.9 nM at α4β2.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
BOC Sciences Bioactive Compounds
DrugMatrix
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Molecular Weight
284.04
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
-3.07
TPSA
20.31
Fraction CSP3
0.88
Chiral centers
0.0
Largest ring
6.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
