Name: Mt KARI-IN-2
Rating: 5 (10 reviews)

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HIT ID:HIT214435371
Cas No:2413974-52-2
常用名:Mt KARI-IN-2
IUPAC:1-(4-methoxyphenyl)-3-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]thiourea
IUPAC:1-(4-methoxyphenyl)-3-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]thiourea
InChI key:YEELHMPVDFYKPL-UHFFFAOYSA-N

分子式:C14H11N5O4S2
分子量:377.39
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(NC(=S)Nc2nnc(s2)-c2ccc(o2)[N+]([O-])=O)cc1
SMILES:COc1ccc(NC(=S)Nc2nnc(s2)-c2ccc(o2)[N+]([O-])=O)cc1

Mt KARI-IN-2 (compound 5b) is a highly effective inhibitor of Mycobacterium tuberculosis ketol-acid reductoisomerase (Mtb KARI), with a Ki value of 2.02 μM. This compound also exhibits inhibitory activity against Mtb H37Rv, with a MIC value of 0.78 μM. Moreover, Mt KARI-IN-2 demonstrates low cytotoxicity, as evidenced by a HEK IC 50 greater than 86 μg/mL [1].

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