General
Preferred name
CYSTAMINE
Synonyms
CYSTAMINE DIHYDROCHLORIDE ()
Decarboxycystine dihydrochloride, 2-Aminoethyl disulfide dihydrochloride, 2,2'-Dithiobisethanamine dihydrochloride ()
Cystamine (hydrochloride) ()
Cystamine-d8 (hydrochloride) ()
P&D ID
PD029150
CAS
56-17-7
51-85-4
111625-30-0
101418-33-1
2712126-51-5
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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
alpha-glucosidase inhibitor
(Tocris Bioactive Compound Library)
DESCRIPTION
Transglutaminase inhibitor; substrate analog
(LOPAC library)
DESCRIPTION
Cystamine dihydrochloride is the dihydrochloride salt of cystamine, which is an organic disulfide that inhibits tissue transglutaminase (TGM2) with an IC50 value of approximately 2.5 mM. It is orally available, and decreases aggregated and cross-linked huntingtin in transfected cells. It is neuroprotective in mouse models of Huntington's disease. It has exhibited suppressive effects against HIV replication in infected human cells. It could extend survival and improve motor performance in transgenic HD mice. It inhibits caspase 3, increases intracellular glutathione, and reduces inflammation in a rat model of inflammatory bowel disease.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
11
BOC Sciences Bioactive Compounds
DrugMAP
LOPAC library
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
45
Molecular Weight
152.04
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
0.29
TPSA
52.04
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.44
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Transglutaminase
Primary Target
Other Transferases
MOA
Inhibitor
Tissue Transglutaminase (TGM2) Inhibitors
Member status
virtual
Pathway
Apoptosis
Metabolic Enzyme/Protease
Target
Caspase
Glutaminase
Anti-infection
Source data
