Name: GlcN-6-P Synthase-IN-1
Rating: 5 (10 reviews)

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HIT ID:HIT214433707
Cas No:2447602-44-8
常用名:GlcN-6-P Synthase-IN-1
IUPAC:N-[(E)-(1-{2-[(2E)-2-({[1,1'-biphenyl]-4-yl}methylidene)hydrazin-1-yl]-4-methyl-1,3-thiazol-5-yl}ethylidene)amino]guanidine
IUPAC:N-[(E)-(1-{2-[(2E)-2-({[1,1'-biphenyl]-4-yl}methylidene)hydrazin-1-yl]-4-methyl-1,3-thiazol-5-yl}ethylidene)amino]guanidine
InChI key:HXNJNIGRPLQGAJ-LBMXFWMASA-N

分子式:C20H21N7S
分子量:391.5
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C\C(=N/NC(N)=N)c1sc(N\N=C\c2ccc(cc2)-c2ccccc2)nc1C
SMILES:C\C(=N/NC(N)=N)c1sc(N\N=C\c2ccc(cc2)-c2ccccc2)nc1C

GlcN-6-P Synthase-IN-1 (Compound 4d) is a potent inhibitor of Glucosamine-6-phosphate (GlcN-6-P) synthase, with an IC50 of 3.47 μM. This compound demonstrates remarkable antimicrobial activity and exhibits excellent penetration in the central nervous system. Additionally, GlcN-6-P Synthase-IN-1 is capable of inhibiting cytochrome P450, specifically the CYP3A4 isoform [1].

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