IWR-1-endo (CHEBI:62882)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:62882 - IWR-1-endo

ChEBI ID	CHEBI:62882
ChEBI Name	IWR-1-endo
Stars
ASCII Name	IWR-1-endo
Definition	A dicarboximide having an endo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group.
Last Modified	6 July 2016
Submitter	Margaret Duesbury
Downloads	Molfile

Formula	C25H19N3O3
Net Charge	0
Average Mass	409.445
Monoisotopic Mass	409.14264
SMILES	[H][C@@]12C(=O)N(c3ccc(C(=O)Nc4cccc5cccnc45)cc3)C(=O)[C@]1([H])[C@@H]1C=C[C@H]2C1
InChI	InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20-,21+
InChIKey	ZGSXEXBYLJIOGF-ALFLXDJESA-N

Roles Classification

Biological Roles:

axin stabilizer Any compound that stabilizes axin proteins.

Wnt signalling inhibitor A substance that inhibits any of the Wnt signalling pathway, a group of signal transduction pathways made of proteins that pass signals from outside of a cell through cell surface receptors to the inside of the cell.

ChEBI Ontology

Outgoing Relation(s)
	IWR-1-endo (CHEBI:62882) has role axin stabilizer (CHEBI:62914)
	IWR-1-endo (CHEBI:62882) has role Wnt signalling inhibitor (CHEBI:78031)
	IWR-1-endo (CHEBI:62882) is a benzamides (CHEBI:22702)
	IWR-1-endo (CHEBI:62882) is a bridged compound (CHEBI:35990)
	IWR-1-endo (CHEBI:62882) is a dicarboximide (CHEBI:35356)
	IWR-1-endo (CHEBI:62882) is a quinolines (CHEBI:26513)

IUPAC Name
4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide

Synonym	Source
IRW1	SUBMITTER

Manual Xrefs	Databases
LSM-5707	LINCS
WO2009155001	Patent

Registry Numbers	Sources
Reaxys:19908763	Reaxys

Citations