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CHEBI:90677 - GSK690693

ChEBI IDCHEBI:90677
ChEBI NameGSK690693
Stars
DefinitionA member of the class of imidazopyridines that is 4-(1-ethylimidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol carrying additional 2-(4-amino-1,2,5-oxadiazol-3-yl and [(3S)-piperidin-3-yl]methoxy substituents at positions 4 and 7 respectively.
Last Modified8 July 2016
Submittermziehm
DownloadsMolfile
FormulaC21H27N7O3
Net Charge0
Average Mass425.493
Monoisotopic Mass425.21754
SMILESCCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21
InChIInChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
InChIKeyKGPGFQWBCSZGEL-ZDUSSCGKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
GSK690693 (CHEBI:90677) has role antineoplastic agent (CHEBI:35610)
GSK690693 (CHEBI:90677) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
GSK690693 (CHEBI:90677) is a 1,2,5-oxadiazole (CHEBI:46815)
GSK690693 (CHEBI:90677) is a acetylenic compound (CHEBI:73474)
GSK690693 (CHEBI:90677) is a aromatic amine (CHEBI:33860)
GSK690693 (CHEBI:90677) is a aromatic ether (CHEBI:35618)
GSK690693 (CHEBI:90677) is a imidazopyridine (CHEBI:46908)
GSK690693 (CHEBI:90677) is a piperidines (CHEBI:26151)
GSK690693 (CHEBI:90677) is a primary amino compound (CHEBI:50994)
GSK690693 (CHEBI:90677) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-piperidin-3-yl]methoxy}-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
Synonyms  Source
GSK-690693ChemIDplus
GSK 690693ChemIDplus
Manual XrefsDatabases
G93PDBeChem
Registry NumbersSources
Reaxys:18301457Reaxys
CAS:937174-76-0ChemIDplus
Citations