General
Preferred name
lipoic acid
Synonyms
(±)-alpha-Lipoic Acid ()
Thioctic acid ()
(R)-(+)-¦Á-Lipoic acid ()
(R)-(+)-??-Lipoic acid ()
(R)-(+)-1,2-Dithiolane-3-pentanoic acid ()
R-(+)-Thioctic acid ()
(R)-(+)-α-Lipoic acid, α-Lipoic acid, Alpha-Lipoic acid ()
(+)-α-Lipoic acid ()
(+)-??-Lipoic acid ()
(R)-(+)-??-Lipoic acid, ??-Lipoic acid, Alpha-Lipoic acid ()
Thioctic acid tromethamine ()
(R)-(+)-α-Lipoic acid ()
(+)-¦Á-Lipoic acid ()
(R)-(+)-¦Á-Lipoic acid, ¦Á-Lipoic acid, Alpha-Lipoic acid ()
Tioctic Acid ()
THIOCTIC ACID ()
(R)-?-Lipoic Acid ()
P&D ID
PD002606
CAS
1200-22-2
62-46-4
1077-27-6
Tags
drug candidate
natural product
drug
available
Drug Status
nutraceutical
investigational
approved
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
Coenzyme needed for the activity of enzyme complexes such as those of pyruvate dehydrogenase and glycine decarboxylase
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
4
Organisms
0
Compound Sets
15
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugBank Approved Drugs
Guide to Pharmacology
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
62
Molecular Weight
206.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
0
cLogP
2.79
TPSA
37.3
Fraction CSP3
0.88
Chiral centers
1.0
Largest ring
5.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Pyruvate dehydrogenase
Pathway
NF-¦ÊB
Metabolism
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Endogenous Metabolite
Mitochondrial Metabolism
Reactive Oxygen Species
LTR,NF-¦ÊB
Member status
virtual
MOA
Pyruvate Dehydrogenase Activators
Source data
