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].
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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
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UniChem Compound Search for chemical match using the InChIKey JGEBLDKNWBUGRZ-HXUWFJFHSA-N
UniChem Connectivity Search for chemical match using the InChIKey JGEBLDKNWBUGRZ-HXUWFJFHSA-N