{[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid (CHEBI:156442)

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ChEBI Name	{[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid

ChEBI ID	CHEBI:156442

ChEBI ASCII Name	{[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid

Definition	A thienopyrimidine that is thieno[3,2-d]pyrimidine which is substituted by a (carboxymethyl)sulfanediyl group at position 4 and by a 1-benzothiophen-2-yl group at position 6. It is a STK17B kinase inhibitor.

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

Submitter	alison.axtman

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Formula

C16H10N2O2S3

Net Charge

Average Mass

358.450

Monoisotopic Mass

357.99044

InChI

InChI=1S/C16H10N2O2S3/c19-14(20)7-21-16-15-10(17-8-18-16)6-13(23-15)12-5-9-3-1-2-4-11(9)22-12/h1-6,8H,7H2,(H,19,20)

InChIKey

BNYXRPMABDQJJR-UHFFFAOYSA-N

SMILES

OC(=O)CSC1=C2SC(=CC2=NC=N1)C1=CC2=C(S1)C=CC=C2

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

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.

ChEBI Ontology
Outgoing	{[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid (CHEBI:156442) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925) {[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid (CHEBI:156442) is a 1-benzothiophenes (CHEBI:38836) {[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid (CHEBI:156442) is a aryl sulfide (CHEBI:35683) {[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid (CHEBI:156442) is a biaryl (CHEBI:64459) {[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid (CHEBI:156442) is a monocarboxylic acid (CHEBI:25384) {[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid (CHEBI:156442) is a sulfur-containing carboxylic acid (CHEBI:33576) {[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid (CHEBI:156442) is a thienopyrimidine (CHEBI:143212)

IUPAC Name

{[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid

Synonyms	Sources
2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid	PDBeChem
SGC-STK17B-1	ChEBI
UNC-AP-194	ChEBI

Last Modified

03 September 2020

General Comment
2020-09-03	Further Information: https://www.thesgc.org/chemical-probes/SGC-STK17B-1 \| DOI: 10.26434/chemrxiv.12616178