ChemMedChem p. 1045 - 1054 (2017)
Update date:2022-08-04
Topics:
Mehanna, Wesam E.
Lu, Tiangong
Debnath, Bikash
Lasheen, Deena S.
Serya, Rabah A. T.
Abouzid, Khaled A.
Neamati, Nouri
Herein we describe the synthesis and biological evaluation of a series of novel benzothiazoles based on a diaryl urea scaffold previously reported in some allosteric chemokine receptor 2 (CXCR2) inhibitors. From a library of 41 new compounds, 17 showed significant inhibition of CXCR2, with IC50 values less than 10 μm and selectivity over CXCR4. Our ADMET simulations suggest favorable drug-like properties for the active compounds. Importantly, we developed a predictive model that can distinguish active from inactive compounds; this will serve as a valuable tool to guide the design of optimized compounds to be evaluated in preclinical models.
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