Name: Ilorasertib hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212671493
Cas No:1847485-91-9
常用名:Ilorasertib hydrochloride
别名:ABT-348 hydrochloride
IUPAC:1-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorophenyl)urea hydrochloride
IUPAC:1-(4-{4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorophenyl)urea hydrochloride
InChI key:SUKMSIXFLFTNHO-UHFFFAOYSA-N

分子式:C25H22ClFN6O2S
分子量:525
氢键供体数 (HBD):4
氢键受体数 (HBA):5
LogP:3.71745
SMILES:Cl.Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
SMILES:Cl.Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

Ilorasertib hydrochloride (ABT-348 hydrochloride) is an ATP-competitive multitargeted kinase inhibitor, which inhibits Aurora C, Aurora B, and Aurora A (IC50s: 1 nM, 7 nM, 120 nM). It also suppresses RET tyrosine kinase, PDGFRβ, and Flt1 (IC50s: 7 nM, 3 nM, and 32 nM).

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