General
Preferred name
(S)-lipoic acid
Synonyms
(S)-5-(1,2-Dithiolan-3-yl)pentanoic acid ()
(S)-Thioctic acid ()
P&D ID
PD132143
CAS
1077-27-6
Tags
available
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
2
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
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)
Indication
diabetic nephropathy
Target
ACHE, PTGS2
MOA
reducing agent
Source data
