General
Preferred name
DEAB
Synonyms
4-Diethylaminobenzaldehyde ()
P&D ID
PD016366
CAS
120-21-8
Tags
available
covalent binder
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
DEAB is a potent inhibitor of cytosolic (class 1) aldehyde dehydrogenase (ALDH) enzymes (IC50 values 0.057 µM, 1.2 µM, 3.0 µM, 1.2 µM, 0.16 µM, and 13 µM for inhibition of ALDH1A1, ALDH1A2, ALDH1A3, ALDH1B1, ALDH2, and ALDH5A1, respectively). DEAB is also an excellent substrate for ALDH3A1, and an irreversible inhibitor of ALDH7A1 (KI value 100 µM).
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Molecular Weight
177.12
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
2.35
TPSA
20.31
Fraction CSP3
0.36
Chiral centers
0.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
ALDH
ALDH inhibitor
Aldehyde dehydrogenase (ALDH)
Solubility
Inert atmosphere, 2-8℃
Source data
