MK-2461   Click here for help

GtoPdb Ligand ID: 7962

Synonyms: MK 2461
Compound class: Synthetic organic
Comment: MK-2461 is a novel ATP-competitive inhibitor of mutant activated c-Met and also exhibits significant inhibitory activities against fibroblast growth factor receptor (FGFR), platelet-derived growth factor receptor, and other receptor tyrosine kinases [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 124.03
Molecular weight 495.16
XLogP 1.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(CC1COCCO1)C
Isomeric SMILES Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(C[C@@H]1COCCO1)C
InChI InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1
InChI Key JGEBLDKNWBUGRZ-HXUWFJFHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
9-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-2-(1-methylpyrazol-4-yl)-11-oxobenzo[1,2]cyclohepta[2,4-b]pyridine
Synonyms Click here for help
MK 2461
Database Links Click here for help
CAS Registry No. 917879-39-1
ChEMBL Ligand CHEMBL1822792
GtoPdb PubChem SID 249565645
PubChem CID 44137946
Search Google for chemical match using the InChIKey JGEBLDKNWBUGRZ-HXUWFJFHSA-N
Search Google for chemicals with the same backbone JGEBLDKNWBUGRZ
Search UniChem for chemical match using the InChIKey JGEBLDKNWBUGRZ-HXUWFJFHSA-N
Search UniChem for chemicals with the same backbone JGEBLDKNWBUGRZ