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CHEBI:144367 - 3PO

ChEBI IDCHEBI:144367
ChEBI Name3PO
Stars
DefinitionA member of the class of pyridines that is pyridine substituted by a 3-oxo-3-(pyridin-4-yl)prop-1-en-1-yl group at position 3. An inhibitor of PFKFB3 kinase, an enzyme with a key role in glycolysis.
Last Modified1 August 2019
Submittersabrina, zfin
DownloadsMolfile
FormulaC13H10N2O
Net Charge0
Average Mass210.236
Monoisotopic Mass210.07931
SMILESO=C(/C=C/c1cccnc1)c1ccncc1
InChIInChI=1S/C13H10N2O/c16-13(12-5-8-14-9-6-12)4-3-11-2-1-7-15-10-11/h1-10H/b4-3+
InChIKeyUOWGYMNWMDNSTL-ONEGZZNKSA-N
Roles Classification
Biological Roles:
EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor  An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of 6-phosphofructo-2-kinase (EC 2.7.1.105).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
autophagy inducer  Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell).
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
3PO (CHEBI:144367) has role angiogenesis inhibitor (CHEBI:48422)
3PO (CHEBI:144367) has role antineoplastic agent (CHEBI:35610)
3PO (CHEBI:144367) has role apoptosis inducer (CHEBI:68495)
3PO (CHEBI:144367) has role autophagy inducer (CHEBI:138880)
3PO (CHEBI:144367) has role EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor (CHEBI:144387)
3PO (CHEBI:144367) is a enone (CHEBI:51689)
3PO (CHEBI:144367) is a pyridines (CHEBI:26421)
IUPAC Name 
(2E)-3-(pyridin-3-yl)-1-(pyridin-4-yl)prop-2-en-1-one
Synonyms  Source
(2E)-3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-oneChEBI
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-oneSUBMITTER
3POSUBMITTER
Registry NumbersSources
CAS:18550-98-6ChEBI
Citations