General
Preferred name
ALASA
Synonyms
5'-O-(N-(Alanyl)sulfamoyl)adenosine ()
P&D ID
PD059662
CAS
112921-04-7
Tags
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
1
Organisms
0
Compound Sets
1
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
417.11
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
5
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
2
cLogP
-2.41
TPSA
221.29
Fraction CSP3
0.54
Chiral centers
5.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
