General
Preferred name
THIOCTIC ACID
Synonyms
Lipoyllysine ()
¦Á-Lipoic Acid ()
L-Lysine thioctate ()
(¡À)-¦Á-Lipoic acid ()
LIPOIC ACID, ALPHA ()
lipoic acid ()
DL-??-Lipoic acid ()
(??)-??-Lipoic acid ()
??-Lipoic Acid ()
DL-¦Á-Lipoic acid(¡À)-¦Á-Lipoic acid ()
thioctic-acid ()
α-Lipoic Acid ()
thioctic acid, Meda ()
(±)-α-Lipoic acid ()
DL-α-Lipoic Acid ()
DL-¦Á-Lipoic Acid ()
DL-Thioctic acid ()
Thioctic acid dl-form ()
.alpha.-lipoic acid ()
NSC-628502 ()
Acidum thiocticum ()
Thioctan ()
Tioctic Acid ()
NSC-90788 ()
A-lipoicum acidum ()
Biletan ()
Thiocacid ()
alpha-Lipoic acid ()
Thioctacid ()
Alpha lipoic acid ()
Lipoic acid, dl- ()
6,8-thioctic acid ()
Dl-6,8-thioctic acid ()
Thioctate ()
DL-.alpha.-Lipoic Acid ()
P&D ID
PD000794
CAS
20902-53-8
1077-24-7
62-46-4
1077-28-7
57828-26-9
Tags
natural product
drug
available
Approved by
FDA
Drug indication
Discovery agent
Drug Status
approved
Max Phase
Phase 4
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
Lipoic acid can be extracted from the kidney, heart, liver, spinach, broccoli, and yeast. It inhibits advanced glycation end products (AGE). And it can be used to treat peripheral artery disease.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
18
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMatrix
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NPC Screening Collection
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
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)
Pathway
NF-¦ÊB
Endogenous Metabolite
HIV Protease
Mitochondrial Metabolism
NF-??b
Anti-infection
Apoptosis
Metabolic Enzyme/Protease
NF-κB
Target
HIV
Human Endogenous Metabolite
Mitochondrial bioenergetics
NF-??B
Multivitamin uptake inhibitor
NF-??
Source data
