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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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
Search Google for chemical match using the InChIKey RYBLECYFLJXEJX-UHFFFAOYSA-N
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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