gumarontinib   Click here for help

GtoPdb Ligand ID: 11623

Synonyms: glumetinib (pseoudo INN) | SCC-224 | SCC224
Compound class: Synthetic organic
Comment: Gumarontinib (SCC224) is an oral potent and highly selective c-MET inhibitor [1]. It was developed for potential to treat MET-dependent tumours.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 126.17
Molecular weight 459.12
XLogP 2.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cn1ncc(c1)c1ccc2n(c1)c(cn2)S(=O)(=O)n1ncc2c1cc(cn2)c1cnn(c1)C
Isomeric SMILES Cn1ncc(c1)c1ccc2n(c1)c(cn2)S(=O)(=O)n1ncc2c1cc(cn2)c1cnn(c1)C
InChI InChI=1S/C21H17N9O2S/c1-27-11-16(7-24-27)14-3-4-20-23-10-21(29(20)13-14)33(31,32)30-19-5-15(6-22-18(19)9-26-30)17-8-25-28(2)12-17/h3-13H,1-2H3
InChI Key RYBLECYFLJXEJX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,3-b]pyridine
International Nonproprietary Names Click here for help
INN number INN
12133 gumarontinib
Synonyms Click here for help
glumetinib (pseoudo INN) | SCC-224 | SCC224
Database Links Click here for help
CAS Registry No. 1642581-63-2 (source: WHO INN record)
ChEMBL Ligand CHEMBL4594400
GtoPdb PubChem SID 442878657
PubChem CID 117797905
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UniChem Compound Search for chemical match using the InChIKey RYBLECYFLJXEJX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RYBLECYFLJXEJX-UHFFFAOYSA-N