JNJ-47117096 (trifluoroacetate salt)

A MELK inhibitor (IC50 = 37 nM), selective for MELK over CAMKIIdelta, MNK2, CAMKIIgamma, and MLCK (IC50s = 810, 760, 1,000, and 1,000 nM, respectively) but does inhibit FLT3 (IC50 = 18 nM), inhibits MELK autophosphorylation (IC50 = 0.52 µM) and MELK proteasome-dependent degradation in MCF-7 cells, induces cellular senescence and the ATM-mediated DNA damage response in MCF-7 cells. Formulation: A solid. InChI: InChI=1S/C21H22N4O2.C2HF3O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18,3-2(4,5)1(6)7/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26),(H,6,7). InChIKey: DBSZBFCNMCPGCJ-UHFFFAOYSA-N. SMILES: O=C(C1=CC=C(C2=CNN=C2)C=C1OC)NC3=CC=C4C(CCNCC4)=C3.OC(C(F)(F)F)=O