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]
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
PubChem CID
65656
CAS Number
87549-36-8
TTD ID
D0E9NJ

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]
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.