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CHEBI:87103 - 2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one

ChEBI IDCHEBI:87103
ChEBI Name2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one
Stars
ASCII Name2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one
DefinitionAn organic heterotetracyclic compound that is 1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one bearing additional tert-butyl and fluoro substituents at positions 2 and 9 respectively.
Last Modified8 December 2021
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC18H16FN3O
Net Charge0
Average Mass309.344
Monoisotopic Mass309.12774
SMILESCC(C)(C)c1nc2c3ccc(F)cc3c3c(=O)nccc3c2n1
InChIInChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
InChIKeyVNDWQCSOSCCWIP-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
ChEBI Ontology
Outgoing Relation(s)
2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one (CHEBI:87103) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one (CHEBI:87103) is a organic heterotetracyclic compound (CHEBI:38163)
2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one (CHEBI:87103) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
2-tert-butyl-9-fluoro-1,6-dihydro-7H-benzo[h]imidazo[4,5-f]isoquinolin-7-one
Synonym  Source
JAK I inhibitorChEBI
UniProt Name  Source
pyridone 6UniProt
Registry NumbersSources
Reaxys:21245307Reaxys
Citations