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CHEBI:195332 - INDY

ChEBI IDCHEBI:195332
ChEBI NameINDY
Stars
DefinitionA member of the class of benzothiazoles that is 2,3-dihydro-1,3-benzothiazole substituted by 2-oxopropylidene, ethyl, and hydroxy groups at positions 2, 3 and 5, respectively. It is an ATP-competitive inhibitor of Dyrk1A and Dyrk1B (IC50 of 0.24 μM and 0.23 μM, respectively).
Last Modified3 August 2023
SubmitterAdnan
DownloadsMolfile
FormulaC12H13NO2S
Net Charge0
Average Mass235.308
Monoisotopic Mass235.06670
SMILESCCN1/C(=C/C(C)=O)Sc2ccc(O)cc21
InChIInChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3/b12-6-
InChIKeyGCSZJMUFYOAHFY-SDQBBNPISA-N
Roles Classification
Biological Roles:
EC 2.7.12.1 (dual-specificity kinase) inhibitor  An EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor that inhibits the action of dual-specificity kinase (EC 2.7.12.1).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
INDY (CHEBI:195332) has role antineoplastic agent (CHEBI:35610)
INDY (CHEBI:195332) has role drug metabolite (CHEBI:49103)
INDY (CHEBI:195332) has role EC 2.7.12.1 (dual-specificity kinase) inhibitor (CHEBI:195525)
INDY (CHEBI:195332) is a benzothiazoles (CHEBI:37947)
INDY (CHEBI:195332) is a enone (CHEBI:51689)
INDY (CHEBI:195332) is a organic hydroxy compound (CHEBI:33822)
Incoming Relation(s)
proINDY (CHEBI:195315) has functional parent INDY (CHEBI:195332)
IUPAC Name 
(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one
Synonyms  Source
(1Z)-1-(3-ethyl-5-hydroxy-2(3H)-benzothiazolylidene)-2-propanoneChEBI
(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-onePDBeChem
Manual XrefsDatabases
EHBPDBeChem
Registry NumbersSources
CAS:1169755-45-6ChEBI
Citations