merestinib   Click here for help

GtoPdb Ligand ID: 9841

Synonyms: LY-2801653 | LY2801653
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Merestinib (LY2801653) is a type II ATP-competitive multikinase inhibitor [4]. It inhibits several kinases including the oncokinases MET (the hepatocyte growth factor [HGF] receptor), RON (MST1R), AXL, MERTK, MKNK1/2, and Tie2/TEK. Merestinib exhibits anti-tumour activity in vitro and in vivo and is orally available.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 106.31
Molecular weight 552.17
XLogP 6.5
No. Lipinski's rules broken 1
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Canonical SMILES Fc1ccc(cc1)n1c(C)ccc(c1=O)C(=O)Nc1ccc(c(c1)F)Oc1cc2cnn(c2cc1c1c[nH]nc1)C
Isomeric SMILES Fc1ccc(cc1)n1c(C)ccc(c1=O)C(=O)Nc1ccc(c(c1)F)Oc1cc2cnn(c2cc1c1c[nH]nc1)C
InChI InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)
1. Akalu YT, Rothlin CV, Ghosh S. (2017)
TAM receptor tyrosine kinases as emerging targets of innate immune checkpoint blockade for cancer therapy.
Immunol Rev, 276 (1): 165-177. [PMID:28258690]
2. Eyob H, Ekiz HA, Derose YS, Waltz SE, Williams MA, Welm AL. (2013)
Inhibition of ron kinase blocks conversion of micrometastases to overt metastases by boosting antitumor immunity.
Cancer Discov, 3 (7): 751-60. [PMID:23612011]
3. Su X, Yu Y, Zhong Y, Giannopoulou EG, Hu X, Liu H, Cross JR, Rätsch G, Rice CM, Ivashkiv LB. (2015)
Interferon-γ regulates cellular metabolism and mRNA translation to potentiate macrophage activation.
Nat Immunol, 16 (8): 838-849. [PMID:26147685]
4. Yan SB, Peek VL, Ajamie R, Buchanan SG, Graff JR, Heidler SA, Hui YH, Huss KL, Konicek BW, Manro JR et al.. (2013)
LY2801653 is an orally bioavailable multi-kinase inhibitor with potent activity against MET, MST1R, and other oncoproteins, and displays anti-tumor activities in mouse xenograft models.
Invest New Drugs, 31 (4): 833-44. [PMID:23275061]