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Chemical structure of ZINC05007751

GC63626

ZINC05007751

Also known as (5Z)-4-methyl-2,6-dioxo-5-[(5-phenylfuran-2-yl)methylidene]pyridine-3-carbonitrile

ZINC05007751 is a potent NIMA-related kinase NEK6 inhibitor with an IC50 of 3·4 μM· ZINC05007751 shows antiproliferative activity against a panel of human cancer cell lines, and displays a synergistic effect with Cisplatin and Paclitaxel in a BRCA2 mutated ovarian cancer cell line· ZINC05007751 is very selective against NEK1 and NEK6 with no significant activity was observed against NEK2, NEK7, and NEK9

ChemicalCAS591239-68-8MW304.3FormulaC18H12N2O3
CAS number
591239-68-8
Molecular weight
304.3
Formula
C18H12N2O3
Solubility
DMSO ： 8·33 mg/mL (27·37 mM; ultrasonic and warming and heat to 60°C)
InChIKey
SNLNUUWCOAPJED-ZROIWOOFSA-N
Catalogue number
GC63626
Brand
GLPBIO
Computed properties PubChem CID 2275754 · XLogP 2.3 · TPSA 83.1 Ų · H-bond donors 1
XLogP
2.3
TPSA
83.1 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23

SMILES CC\1=C(C(=O)NC(=O)/C1=C\C2=CC=C(O2)C3=CC=CC=C3)C#N

Computed descriptors from PubChem (CID 2275754), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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