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CHEBI:234393 - BRD6688

ChEBI IDCHEBI:234393
ChEBI NameBRD6688
Stars
DefinitionA pyrrolidinecarboxamide that is N-phenylpyrrolidine-1-carboxamide substituted by amino and pyridin-4-yl groups at positions 2 and 5, respectively. It is a HDAC inhibitor (IC50 = 21 nM, 100 nM, and 11.48 μM for HDAC1, HDAC2, and HDAC3, respectively) and has shown to enhance cognition in mouse models.
Last Modified12 June 2025
Submitteraxiao
DownloadsMolfile
FormulaC16H18N4O
Net Charge0
Average Mass282.347
Monoisotopic Mass282.14806
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)N1CCCC1
InChIInChI=1S/C16H18N4O/c17-14-4-3-13(12-5-7-18-8-6-12)11-15(14)19-16(21)20-9-1-2-10-20/h3-8,11H,1-2,9-10,17H2,(H,19,21)
InChIKeyYZXBMJVMSBSGMM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 3.5.1.98 (histone deacetylase) inhibitor  An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
Application:
nootropic agent  Any compound that improves mental functions such as cognition, memory, intelligence, motivation, attention, and concentration.
ChEBI Ontology
Outgoing Relation(s)
BRD6688 (CHEBI:234393) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
BRD6688 (CHEBI:234393) has role nootropic agent (CHEBI:66980)
BRD6688 (CHEBI:234393) is a biaryl (CHEBI:64459)
BRD6688 (CHEBI:234393) is a pyridines (CHEBI:26421)
BRD6688 (CHEBI:234393) is a pyrrolidinecarboxamide (CHEBI:46770)
BRD6688 (CHEBI:234393) is a substituted aniline (CHEBI:48975)
BRD6688 (CHEBI:234393) is a ureas (CHEBI:47857)
IUPAC Name 
N-[2-amino-5-(pyridin-4-yl)phenyl]pyrrolidine-1-carboxamide
Synonyms  Source
BRD 6688SUBMITTER
BRD-6688SUBMITTER
N-[2-amino-5-(4-pyridinyl)phenyl]-1-pyrrolidinecarboxamideChEBI
N-(2-amino-5-(pyridin-4-yl)phenyl)pyrrolidine-1-carboxamideChEBI
N-[2-amino-5-(4-pyridyl)phenyl]-1-pyrrolidinecarboxamideChEBI
Registry NumbersSources
CAS:1404562-17-9SUBMITTER
Citations