Name: TBK1/IKKε-IN-4
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322097
Cas No:1381930-17-1
常用名:TBK1/IKKε-IN-4
别名:TBK1/IKKε-IN-4
IUPAC:N-{3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
IUPAC:N-{3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
InChI key:PVQUVXVUIZZLMP-UHFFFAOYSA-N

分子式:C28H35N7O4
分子量:533.633
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(cc1)-n1ncc2cnc(Nc3cc(OC)c(OC)c(OCCCN4CCN(C)CC4)c3)nc12
SMILES:COc1ccc(cc1)-n1ncc2cnc(Nc3cc(OC)c(OC)c(OCCCN4CCN(C)CC4)c3)nc12

TBK1/IKKε-IN-4 is a 6-aminopyrazolopyrimidine derivative and a potent, selective TBK1 and IKKε inhibitor with IC50 values of 13 nM and 59 nM, respectively. TBK1/IKKε-IN-4 shows 100- to 1000-fold less activity against other protein kinases including PDK1, PI3K family members and mTOR[1].

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