merestinib

Ligand id: 9841

Name: merestinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
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

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
International Nonproprietary Names
INN number INN
10107 merestinib
Synonyms
LY-2801653 | LY2801653
Comments
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.
Database Links
BindingDB Ligand 50172078
CAS Registry No. 1206799-15-6 (source: WHO INN record)
ChEMBL Ligand CHEMBL3545307
GtoPdb PubChem SID 363894135
PubChem CID 44603533
RCSB PDB Ligand L1X
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Search UniChem for chemical match using the InChIKey QHADVLVFMKEIIP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QHADVLVFMKEIIP
SynPHARM 84918 (in complex with MET proto-oncogene, receptor tyrosine kinase)
84917 (in complex with MET proto-oncogene, receptor tyrosine kinase)