General
Preferred name
ALRESTATIN
Synonyms
Alrestatin (sodium) ()
AY-22284 ()
ALRESTATIN SODIUM ()
NSC-299132 ()
AY-22284A ()
AY-22,284A ()
P&D ID
PD001404
CAS
51411-04-2
51876-97-2
Tags
drug candidate
natural product
available
Drug indication
Enzyme Inhibitor (aldose reductase)
Drug Status
experimental
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
Aldose reductase inhibitor
(Tocriscreen Total)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
18
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugMAP
DrugMatrix
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
JUMP-Target 1 Compound Set
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
36
Molecular Weight
255.05
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
2
cLogP
1.52
TPSA
74.68
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.83
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Aldose Reductase
AKR1B1
Pathway
Metabolic Enzyme/Protease
Endocrinology/Hormones
MOA
Reductase
Aldose Reductase Inhibitors
Aldose reductase inhibitor
Member status
member
Source data
