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

ChEBI IDCHEBI:156442
ChEBI Name{[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid
Stars
ASCII Name{[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanyl}acetic acid
DefinitionA 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.
Last Modified3 September 2020
Submitteralison.axtman
DownloadsMolfile
FormulaC16H10N2O2S3
Net Charge0
Average Mass358.469
Monoisotopic Mass357.99044
SMILESO=C(O)CSc1ncnc2cc(-c3cc4ccccc4s3)sc12
InChIInChI=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)
InChIKeyBNYXRPMABDQJJR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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)
{[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  Source
2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acidPDBeChem
SGC-STK17B-1ChEBI
UNC-AP-194ChEBI
Manual XrefsDatabases
OBWPDBeChem