CHEBI:90677 - GSK690693

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name GSK690693
ChEBI ID CHEBI:90677
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Matthias Ziehm
Supplier Information
Download Molfile XML SDF
Formula C21H27N7O3
Net Charge 0
Average Mass 425.485
Monoisotopic Mass 425.218
InChI InChI=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
InChIKey KGPGFQWBCSZGEL-ZDUSSCGKSA-N
SMILES C=1(C(N)=NON1)C2=NC3=C(C#CC(O)(C)C)N=CC(=C3N2CC)OC[C@@H]4CNCCC4
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
GSK 690693 ChemIDplus
GSK-690693 ChemIDplus
Manual Xref Database
G93 PDBeChem
View more database links
Registry Numbers Types Sources
18301457 Reaxys Registry Number Reaxys
937174-76-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18800763 PubMed citation Europe PMC
23892718 PubMed citation Europe PMC
24394624 PubMed citation Europe PMC
24715717 PubMed citation Europe PMC
25757752 PubMed citation Europe PMC
25788264 PubMed citation Europe PMC
26181325 PubMed citation Europe PMC
Last Modified
08 July 2016