General
Preferred name
PYRIDOXAL
Synonyms
Pyridoxal Hydrochloride ()
Pyridoxaldehyde ()
HQ ()
Piridoxal ()
Pyridoxal (hydrochloride) ()
P&D ID
PD010202
CAS
66-72-8
65-22-5
Tags
covalent binder
natural product
drug
available
Drug Status
nutraceutical
experimental
investigational
approved
Max Phase
Phase 3
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
10
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
56
Properties
(calculated by RDKit )
Molecular Weight
167.06
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.4
TPSA
70.42
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
epilepsy
Target
PDXK
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data
