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CHEBI:230532 - SMIP004

ChEBI IDCHEBI:230532
ChEBI NameSMIP004
Stars
DefinitionA member of the class of N-benzylacetamides that is benzene substituted by acetylnitrilo, methyl, and butyl groups at positions 1, 2 and 4, respectively. It is a SKP2 E3 ligase inhibitor and a selective apoptosis inducer of human prostate cancer cells.
Last Modified3 May 2024
Submitterdelphine
DownloadsMolfile
FormulaC13H19NO
Net Charge0
Average Mass205.301
Monoisotopic Mass205.14666
SMILESCCCCc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C13H19NO/c1-4-5-6-12-7-8-13(10(2)9-12)14-11(3)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyZFVMECVBUGMWIX-UHFFFAOYSA-N
Roles Classification
Biological Roles:
EC 6.3.2.19 (ubiquitin--protein ligase) inhibitor  An enzyme inhibitor that interferes with the action of ubiquitin—protein ligase (EC 6.3.2.19).
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).
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
SMIP004 (CHEBI:230532) has role anticoronaviral agent (CHEBI:149553)
SMIP004 (CHEBI:230532) has role antidepressant (CHEBI:35469)
SMIP004 (CHEBI:230532) has role antineoplastic agent (CHEBI:35610)
SMIP004 (CHEBI:230532) has role apoptosis inducer (CHEBI:68495)
SMIP004 (CHEBI:230532) has role autophagy inducer (CHEBI:138880)
SMIP004 (CHEBI:230532) has role EC 6.3.2.19 (ubiquitin—protein ligase) inhibitor (CHEBI:75968)
SMIP004 (CHEBI:230532) is a N-benzylacetamides (CHEBI:51931)
SMIP004 (CHEBI:230532) is a alkylbenzene (CHEBI:38976)
SMIP004 (CHEBI:230532) is a toluenes (CHEBI:27024)
IUPAC Name 
N-(4-butyl-2-methylphenyl)acetamide
Synonyms  Source
SMIP-004ChEBI
SMIP 004ChEBI
Registry NumbersSources
CAS:143360-00-3SUBMITTER
Citations