General
Preferred name
DIACETAMATE
Synonyms
N,o-diacetyl-para-aminophenol ()
4-Acetamidophenyl acetate ()
Acetaminophen related compound a ()
NSC-6083 ()
Diacetamato ()
N,o-diacetyl-4-aminopheno ()
NSC-33893 ()
P&D ID
PD001142
CAS
2623-33-8
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
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()] ]]
Description
(extracted from source data)
DESCRIPTION
4-Acetamidophenyl acetate is an impurity of Acetaminophen (HY-66005). 4-Acetamidophenyl acetate acts as an intermediate in the synthesis of Acetaminophen. Acetaminophen is a selective COX-2 inhibitor (IC50=25.8 ¦ÌM), and is a potent hepatic N-acetyltransferase 2 (NAT2) inhibitor[1][2][3].
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
ChEMBL Drugs
Drug Repurposing Hub
MedChem Express Bioactive Compound Library
NPC Screening Collection
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Molecular Weight
193.07
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.57
TPSA
55.4
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Bacterial
Drug intermediate
Parasite
Pathway
Anti-infection
Source data
