Name: NL-103
Rating: 5 (10 reviews)

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HIT ID:HIT220913667
Cas No:1788896-33-2
常用名:NL-103
IUPAC:N-[4-chloro-3-(3-chlorobenzamido)phenyl]-6-{[6-(hydroxycarbamoyl)hexyl]amino}pyridine-3-carboxamide
IUPAC:N-[4-chloro-3-(3-chlorobenzamido)phenyl]-6-{[6-(hydroxycarbamoyl)hexyl]amino}pyridine-3-carboxamide
InChI key:InChIKey=RJWLMMYFBDEKDT-UHFFFAOYSA-N

分子式:C26H27Cl2N5O4
分子量:544.43
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:ONC(=O)CCCCCCNc1ccc(cn1)C(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1
SMILES:ONC(=O)CCCCCCNc1ccc(cn1)C(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2)c1

NL-103 is a novel dual-targeted inhibitor of histone deacetylases and hedgehog pathway, effectively overcomes vismodegib resistance conferred by Smo mutations. NL-103 comprises structural elements of Hh pathway inhibitor vismodegib, and histone deacetylase (HDAC) inhibitor vorinostat. NL-103 simultaneously and significantly inhibited both HDACs and Hh pathway. Importantly, NL-103 effectively overcame vismodegib resistance induced by Smoothened point mutations. Moreover, NL-103 significantly downregulated the expression of Gli2 which plays an important role in Hh pathway. NL-103 may be a promising compound for clinical development as a more effective Hh pathway inhibitor.

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