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

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ChEBI Name 2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one
ChEBI ID CHEBI:87103
ChEBI ASCII Name 2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
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Formula C18H16FN3O
Net Charge 0
Average Mass 309.33750
Monoisotopic Mass 309.12774
InChI InChI=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)
InChIKey VNDWQCSOSCCWIP-UHFFFAOYSA-N
SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Roles Classification
Biological Role(s): 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).
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ChEBI Ontology
Outgoing 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 inhibitor ChEBI
Registry Number Type Source
21245307 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23271704 PubMed citation Europe PMC
26091108 PubMed citation Europe PMC
Last Modified
11 August 2015