Name: PDK4-IN-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212666449
Cas No:2310262-10-1
常用名:PDK4-IN-1
IUPAC:1-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-9,10-dihydroanthracene-9,10-dione
IUPAC:1-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-9,10-dihydroanthracene-9,10-dione
InChI key:RUCYSQLKCYBLDW-UHFFFAOYSA-N

分子式:C22H19N3O2
分子量:357.413
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:2.6375496
SMILES:O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1
SMILES:O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1

PDK4-IN-1 is an anthraquinone derivative and a potent and orally active inhibitor of pyruvate dehydrogenase kinase 4 (PDK4)(IC50 value of 84 nM).

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