Compound ID | 2213

Update compound information

2-(2-amino-3-chloro-benzoylamino)-benzoic acid

Class: Antivirulence agent

Spectrum of activity: Gram-positive
Details of activity: Inhibits Staphylococcus aureus sortase A
Description: Synthetic compound from OTAVA compound collection; selective towards S. aureus sortase vs other cysteine proteases (CatL, CatB, rhodesain and SARS-CoV2 Mpro)
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 290.7
Iso. SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=C(C(=CC=C2)Cl)N
InChI Key: XUXNUZAYZJJLIL-UHFFFAOYSA-N
Can. SMILES: C1=CC(=C(C=C1)NC(=O)C2=CC=CC(=C2N)Cl)C(=O)O
InChI: InChI=1S/C14H11ClN2O3/c15-10-6-3-5-9(12(10)16)13(18)17-11-7-2-1-4-8(11)14(19)20/h1-7H,16H2,(H,17,18)(H,19,20)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/82546561
Citations:
  • https://otavachemicals.com/
  • https://www.nature.com/articles/s41429-022-00524-8#Sec16

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