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CHEBI:230532 - SMIP004

Default Structure
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:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
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).
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