Details of the Drug

General Information of Drug (ID: DMWVPSM)

Drug Name

PARCETASAL

Synonyms

MR-897; Parcetasal; N-[4-(2-Methyl-4-oxo-1,3-benzodioxan-2-yloxy)phenyl]acetamide; Rac-4'-(2-Methyl-4-oxo-1,3-benzodioxan-2-yloxy)acetanilide

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

313.3

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H15NO5
IUPAC Name: N-[4-[(2-methyl-4-oxo-1,3-benzodioxin-2-yl)oxy]phenyl]acetamide
Canonical SMILES: CC(=O)NC1=CC=C(C=C1)OC2(OC3=CC=CC=C3C(=O)O2)C
InChI: InChI=1S/C17H15NO5/c1-11(19)18-12-7-9-13(10-8-12)21-17(2)22-15-6-4-3-5-14(15)16(20)23-17/h3-10H,1-2H3,(H,18,19)
InChIKey: ZAPRLADYRFPQSH-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin synthetase (PGS)	TTGSRBC	NOUNIPROTAC	Modulator	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Paracetamol effectively reduces prostaglandin E2 synthesis in brain macrophages by inhibiting enzymatic activity of cyclooxygenase but not phospholipase and prostaglandin E synthase. J Neurosci Res. 2003 Mar 15;71(6):844-52.