Name: Mutated EGFR-IN-3
Rating: 5 (10 reviews)

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HIT ID:HIT212666149
Cas No:2375107-27-8
常用名:Mutated EGFR-IN-3
IUPAC:9-benzyl-6-fluoro-13-[4-(4-methylpiperazin-1-yl)phenoxy]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
IUPAC:9-benzyl-6-fluoro-13-[4-(4-methylpiperazin-1-yl)phenoxy]-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
InChI key:ZPNTXOKOIHPCLI-UHFFFAOYSA-N

分子式:C31H29FN4O2
分子量:508.597
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:7.018502
SMILES:CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1
SMILES:CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1

Mutated EGFR-IN-3 is a ATP-competitive and highly selective allosteric dibenzodiazepinone EGFR(L858R/T790M) and EGFR(L858R/T790M/C797S) inhibitor(IC50 of 12 nM and 13 nM, respectively. )

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