General
Preferred name
METHYLTHIOADENOSINE
Synonyms
5'-(Methylthio)-5'-deoxyadenosine ()
5'-Deoxy-5'-(methylthio)adenosine ()
5'-S-Methyl-5'-thioadenosine ()
Methylthioadenosine, MTA ()
5'-Methylthioadenosine ()
5'-Deoxy-5'-methylthioadenosine ()
5'-Deoxy-5'-methylthioadenosine-d3 ()
5-methyl thioadenosine ()
P&D ID
PD018550
CAS
2457-80-9
174838-38-1
Tags
available
drug candidate
obsolete probe
Drug indication
Multiple sclerosis
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION 4-Methyl-2-oxopentanoic acid is an abnormal metabolite, a neurotoxin and a metabolic toxin. (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
1
Compound Sets
7
Cayman Chemical Bioactives
15593
27836
DrugBank
DB02282
DrugMAP
DMC8J6F
Obsolete Compounds
5-methyl-thioadenosine
ReFrame library
Selleckchem Bioactive Compound Library
5-deoxy-5-methylthio-adenosine
TargetMol Bioactive Compound Library
T8227
External IDs
53
Properties
(calculated by RDKit )
Molecular Weight
297.09
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
-0.61
TPSA
119.31
Fraction CSP3
0.55
Chiral centers
4.0
Largest ring
6.0
QED
0.69
Structural alerts
1
historic compounds (Chemical Probes.org)
Obsolete
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Human Endogenous Metabolite
Adenosine Receptor
Pathway
Metabolism
Source data