Name: EGFR-IN-52
Rating: 5 (10 reviews)

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HIT ID:HIT107610533
Cas No:454436-75-0
常用名:EGFR-IN-52
IUPAC:3-(2H-1,3-benzodioxol-5-yl)-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
IUPAC:3-(2H-1,3-benzodioxol-5-yl)-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
InChI key:ZNMSKFVKBVCPAJ-UHFFFAOYSA-N

分子式:C19H18N4O3S
分子量:382.44
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:1.11
SMILES:Cc1c(NC(=S)Nc2ccc3OCOc3c2)c(=O)n(-c2ccccc2)n1C
SMILES:Cc1c(NC(=S)Nc2ccc3OCOc3c2)c(=O)n(-c2ccccc2)n1C

EGFR-IN-52 (Compound 4) is a highly effective inhibitor of the epidermal growth factor receptor (EGFR). It exhibits IC50 values of 0.358, 86.02, and 432.67 μM against EGFR, EGFR L858R-TK, and EGFR T790M-TK, respectively. Additionally, EGFR-IN-52 demonstrates potent cytotoxic effects on cancer cell lines and triggers apoptosis [1].

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