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CHEBI:143111 - ({6-[4-(methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid

ChEBI IDCHEBI:143111
ChEBI Name({6-[4-(methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid
Stars
ASCII Name({6-[4-(methylsulfanyl)phenyl]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 4-(methylsulfanyl)phenyl group at position 6. It is a STK17B kinase inhibitor.
Last Modified3 September 2020
SubmitterTim Willson
DownloadsMolfile
FormulaC15H12N2O2S3
Net Charge0
Average Mass348.474
Monoisotopic Mass348.00609
SMILESCSc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1
InChIInChI=1S/C15H12N2O2S3/c1-20-10-4-2-9(3-5-10)12-6-11-14(22-12)15(17-8-16-11)21-7-13(18)19/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyKJCQGDBVLKOAHP-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-[4-(methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid (CHEBI:143111) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
({6-[4-(methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid (CHEBI:143111) is a aryl sulfide (CHEBI:35683)
({6-[4-(methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid (CHEBI:143111) is a biaryl (CHEBI:64459)
({6-[4-(methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid (CHEBI:143111) is a monocarboxylic acid (CHEBI:25384)
({6-[4-(methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid (CHEBI:143111) is a sulfur-containing carboxylic acid (CHEBI:33576)
({6-[4-(methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid (CHEBI:143111) is a thienopyrimidine (CHEBI:143212)
IUPAC Name 
({6-[4-(methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid
Synonym  Source
UNC-AP-141ChEBI
Citations