General
Preferred name
ACTARIT
Synonyms
4-acetylaminophenylacetic acid ()
MS-932 ()
Mirabegron (m9) ()
(p-acetamidophenyl)acetic acid ()
NSC-170317 ()
YM-340790 ()
P&D ID
PD001128
CAS
18699-02-2
18699-02-0
Tags
natural product
drug
available
Drug Status
approved
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 ]]
Compound Sets
14
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
NIH Clinical Collections (NCC)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
193.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.27
TPSA
66.4
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Indication
rheumatoid arthritis
MOA
interleukin receptor agonist
Source data
