SMIP004 (CHEBI:230532)

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ChEBI Name	SMIP004

ChEBI ID	CHEBI:230532

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Delphine Zhou

Supplier Information

Download	Molfile XML SDF

Formula

C13H19NO

Net Charge

Average Mass

205.301

Monoisotopic Mass

205.14666

InChI

InChI=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)

InChIKey

ZFVMECVBUGMWIX-UHFFFAOYSA-N

SMILES

CCCCC1=CC(C)=C(NC(C)=O)C=C1

Roles Classification
Biological Role(s):	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. EC 6.3.2.19 (ubiquitin--protein ligase) inhibitor An enzyme inhibitor that interferes with the action of ubiquitinprotein 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.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
143360-00-3	CAS Registry Number	SUBMITTER

Last Modified

03 May 2024