General
Preferred name
Methylthioinosine
Synonyms
6-Methylmercaptopurine riboside ()
P&D ID
PD016172
CAS
342-69-8
Tags
available
drug candidate
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
0
Organisms
1
Compound Sets
2
DrugBank
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
298.07
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
-0.84
TPSA
113.52
Fraction CSP3
0.55
Chiral centers
4.0
Largest ring
6.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
