General
Preferred name
METHYLTHIOADENOSINE
Synonyms
5'-S-Methyl-5'-thioadenosine ()
5-methyl thioadenosine ()
5-Methyl-Thioadenosine ()
5'-Deoxy-5'-methylthioadenosine ()
5'-Deoxy-5'-methylthioadenosine-d3 ()
P&D ID
PD018550
CAS
2457-80-9
174838-38-1
Tags
obsolete probe
drug candidate
natural product
available
Drug indication
Multiple sclerosis
Drug Status
experimental
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 ]]
Cell lines
2
Organisms
1
Compound Sets
5
DrugBank
DrugMAP
Obsolete Compounds
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
47
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)
Source data
