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

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结构编辑

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HIT ID:HIT212670672
Cas No:1387090-01-8
常用名:DYRKs-IN-1
IUPAC:N-{5-[(3-amino-1-phenylpropyl)carbamoyl]-2-chlorophenyl}-2-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}-7-oxo-7H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
IUPAC:N-{5-[(3-amino-1-phenylpropyl)carbamoyl]-2-chlorophenyl}-2-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}-7-oxo-7H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
InChI key:MRWURALZVKJHPD-UHFFFAOYSA-N

分子式:C30H30ClN7O4
分子量:588.07
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:2.9439154
SMILES:NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(nc3[nH]c2=O)N2CC3CCC(C2)O3)c1)c1ccccc1
SMILES:NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(nc3[nH]c2=O)N2CC3CCC(C2)O3)c1)c1ccccc1

DYRKs-IN-1 has antitumor activity. DYRKs-IN-1 is a potent DYRKs (Dual-specificity tyrosine-phosphorylation-regulated kinases) inhibitor with IC50s of 9 nM and 5 nM for DYRK1B and DYRK1A, respectively.

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