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CHEBI:232358 - EVP4593

ChEBI IDCHEBI:232358
ChEBI NameEVP4593
Stars
DefinitionA member of the class of quinazolines that is quinazoline substituted by [2-(4-phenoxyphenyl)ethyl]amino and amino groups at positions 4 and 6, respectively. It is an inhibitor of NF-κB signal transduction pathway and exhibits protective effects in oncology, cardiovascular disease and parasite invasion.
Last Modified12 November 2024
SubmitterFlyBase
DownloadsMolfile
FormulaC22H20N4O
Net Charge0
Average Mass356.429
Monoisotopic Mass356.16371
SMILESNc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C22H20N4O/c23-17-8-11-21-20(14-17)22(26-15-25-21)24-13-12-16-6-9-19(10-7-16)27-18-4-2-1-3-5-18/h1-11,14-15H,12-13,23H2,(H,24,25,26)
InChIKeyIBAKVEUZKHOWNG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
NF-kappaB inhibitor  An inhibitor of NF-κB (nuclear factor κ-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA.
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor  A respiratory-chain inhibitor that interferes with the action of the the enzyme NADH:ubiquinone reductase (H+-translocating), EC 1.6.5.3.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antiparasitic agent  A substance used to treat or prevent parasitic infections.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
EVP4593 (CHEBI:232358) has role anti-inflammatory agent (CHEBI:67079)
EVP4593 (CHEBI:232358) has role antineoplastic agent (CHEBI:35610)
EVP4593 (CHEBI:232358) has role antiparasitic agent (CHEBI:35442)
EVP4593 (CHEBI:232358) has role apoptosis inducer (CHEBI:68495)
EVP4593 (CHEBI:232358) has role EC 1.6.5.3 [NADH:ubiquinone reductase (H+-translocating)] inhibitor (CHEBI:38503)
EVP4593 (CHEBI:232358) has role NF-κB inhibitor (CHEBI:73240)
EVP4593 (CHEBI:232358) is a aromatic ether (CHEBI:35618)
EVP4593 (CHEBI:232358) is a benzenes (CHEBI:22712)
EVP4593 (CHEBI:232358) is a primary amino compound (CHEBI:50994)
EVP4593 (CHEBI:232358) is a quinazolines (CHEBI:38530)
EVP4593 (CHEBI:232358) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
N4-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine
Synonyms  Source
6-amino-4-(4-phenoxyphenylethylamino)quinazolineSUBMITTER
QNZChEBI
EVP-4593ChEBI
EVP 4593ChEBI
N4-(4-phenoxyphenethyl)quinazoline-4,6-diamineChEBI
N4-[2-(4-phenoxyphenyl)ethyl]-4,6-quinazolinediamineChEBI
Manual XrefsDatabases
HMDB0246942HMDB
LSM-45149LINCS
Registry NumbersSources
Reaxys:9350957Reaxys
CAS:545380-34-5SUBMITTER
Citations