Name: Desmethyl-QCA276
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212668247
Cas No:2126819-55-2
常用名:Desmethyl-QCA276
别名:PROTAC BRD4-binding moiety 4
IUPAC:5-benzyl-13-methyl-4-[2-(1H-pyrazol-4-yl)ethynyl]-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraene
IUPAC:5-benzyl-13-methyl-4-[2-(1H-pyrazol-4-yl)ethynyl]-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraene
InChI key:ZTDJXVBUQNJGQF-UHFFFAOYSA-N

分子式:C21H17N5OS
分子量:387.46
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:3.1951187
SMILES:Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cn[nH]c1
SMILES:Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cn[nH]c1

Desmethyl-QCA276, the QCA276-based moiety, binds to cereblon ligand via a linker to form PROTAC to degrade BET. QCA276 is a BET inhibitor with an IC50 of 10 nM, and with a Ki of 2.3 nM[1].

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