INDY (CHEBI:195332)

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ChEBI Name	INDY

ChEBI ID	CHEBI:195332

Definition	A 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).

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C12H13NO2S

Net Charge

Average Mass

235.300

Monoisotopic Mass

235.06670

InChI

InChI=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-

InChIKey

GCSZJMUFYOAHFY-SDQBBNPISA-N

SMILES

CCN1\C(SC2=CC=C(O)C=C12)=C\C(C)=O

Roles Classification
Biological Role(s):	drug metabolite 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(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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	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	Sources
(1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-one	PDBeChem
(1Z)-1-(3-ethyl-5-hydroxy-2(3H)-benzothiazolylidene)-2-propanone	ChEBI

Registry Number	Type	Source
1169755-45-6	CAS Registry Number	ChEBI

Last Modified

03 August 2023