General
Preferred name
ACEDOBEN
Synonyms
Inosine pranobex ()
NSC-4002 ()
P-acetamidobenzoic acid ()
P&D ID
PD001129
CAS
556-08-1
Tags
drug candidate
natural product
available
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
9
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugMatrix
Enamine BioReference Compounds
NPC Screening Collection
ReFrame library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
179.06
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.34
TPSA
66.4
Fraction CSP3
0.11
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
