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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
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| Preferred Name | 4-phenylbutyric acid | |
| Synonyms |
omega-Phenylbutanoic acid PBA Benzenebutyric acid 4-phenylbutanoic acid gamma-Phenyl-n-butyric acid C10H12O2 4-Phenyl-n-butyric acid omega-phenylbutyric acid gamma-phenylbutyric acid 4-PHENYL-BUTANOIC ACID |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_41500 |
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| altId |
CHEBI:64058
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| Definition |
A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation.
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| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_61115 |
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| InChI |
InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
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| InChIKey |
InChIKey=OBKXEAXTFZPCHS-UHFFFAOYSA-N
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| label |
4-phenylbutyric acid
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| prefixIRI |
obo2:CHEBI_41500
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| prefLabel |
4-phenylbutyric acid
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| SMILES |
OC(=O)CCCc1ccccc1
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| Synonym |
omega-Phenylbutanoic acid PBA Benzenebutyric acid 4-phenylbutanoic acid gamma-Phenyl-n-butyric acid C10H12O2 4-Phenyl-n-butyric acid omega-phenylbutyric acid gamma-phenylbutyric acid 4-PHENYL-BUTANOIC ACID
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| xref |
PDBeChem:CLT CiteXplore:21237159 CiteXplore:21726539 ChEMBL:497873 NIST Chemistry WebBook:1821-12-1 CiteXplore:22101259 CiteXplore:20399799 CiteXplore:19918981 CiteXplore:22359472 HMDB:HMDB00543 CiteXplore:21894430 CiteXplore:21887297 Reaxys:638180 CASRN:1821-12-1
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| subClassOf |
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