General
Preferred name
thiamine disulfide
Synonyms
P&D ID
PD014449
CAS
67-16-3
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Thiamine disulfide, a vitamin B1 derivative, is an oxidized dimer of Thiamine. Thiamine disulfide is a potent HIV-1 inhibitor. Thiamine disulfide significantly depresses HIV-1 transactivator (Tat) activity[1][2].
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
MedChem Express Bioactive Compound Library
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Molecular Weight
562.21
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
4
Rotatable Bonds
15
Ring Count
2
Aromatic Ring Count
2
cLogP
2.27
TPSA
184.68
Fraction CSP3
0.42
Chiral centers
0.0
Largest ring
6.0
QED
0.18
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
HIV
Pathway
Anti-infection
Metabolic Enzyme/Protease
Source data
