CHEBI:125649 - IWP-2

ChEBI IDCHEBI:125649
ChEBI NameIWP-2
Stars
DefinitionA thienopyridine that is 6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one substituted by {2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanediyl and phenyl groups at positions 2 and 3, respectively. It is an ATP-competitive CK1δ inhibitor and also a Wnt/β-catenin signal pathway inhibitor.
Last Modified7 November 2024
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FormulaC22H18N4O2S3
Net Charge0
Average Mass466.613
Monoisotopic Mass466.05919
SMILESCc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1
InChIInChI=1S/C22H18N4O2S3/c1-13-7-8-15-17(11-13)31-21(23-15)25-18(27)12-30-22-24-16-9-10-29-19(16)20(28)26(22)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,23,25,27)
InChIKeyWRKPZSMRWPJJDH-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
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.
ChEBI Ontology
Outgoing Relation(s)
IWP-2 (CHEBI:125649) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
IWP-2 (CHEBI:125649) has role Wnt signalling inhibitor (CHEBI:78031)
IWP-2 (CHEBI:125649) is a benzenes (CHEBI:22712)
IWP-2 (CHEBI:125649) is a benzothiazoles (CHEBI:37947)
IWP-2 (CHEBI:125649) is a organic sulfide (CHEBI:16385)
IWP-2 (CHEBI:125649) is a secondary carboxamide (CHEBI:140325)
IWP-2 (CHEBI:125649) is a thienopyridine (CHEBI:37942)
IUPAC Name 
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Synonyms  Source
IWP 2ChEBI
IWP2ChEBI
N-(6-methylbenzo[d]thiazol-2-yl)-2-(4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-ylthio)acetamideChEBI
Manual XrefsDatabases
LSM-37210LINCS
9XKPDBeChem
Registry NumbersSources
CAS:686770-61-6ChEBI
Citations