Details of the Drug

General Information of Drug (ID: DMH6QZO)

Drug Name
4-Methyl-3-(2-oxo-azetidin-1-yl)-benzoic acid
Synonyms
CHEMBL124880; 88072-24-6; 4-Methyl-3-(2-oxoazetidin-1-yl)benzoic acid; 4-Methyl-3-(2-oxo-azetidin-1-yl)-benzoic acid; CTK3B8559; DTXSID20539468; BDBM50022785; Benzoic acid, 4-methyl-3-(2-oxo-1-azetidinyl)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 205.21
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H11NO3
IUPAC Name
4-methyl-3-(2-oxoazetidin-1-yl)benzoic acid
Canonical SMILES
CC1=C(C=C(C=C1)C(=O)O)N2CCC2=O
InChI
InChI=1S/C11H11NO3/c1-7-2-3-8(11(14)15)6-9(7)12-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKey
XLQAIEGAEHIXRJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13400034
CAS Number
88072-24-6
TTD ID
D0W9RM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Staphylococcus Beta-lactamase (Stap-coc blaZ) TTHI19T BLAC_STAAU Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 N-aryl 3-halogenated azetidin-2-ones and benzocarbacephems, inhibitors of beta-lactamases. J Med Chem. 1988 Feb;31(2):370-4.