CHEBI:189648 - PB28

ChEBI IDCHEBI:189648
ChEBI NamePB28
Stars
DefinitionA member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (σ2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities.
Last Modified11 February 2022
Submitterjinyangd
DownloadsMolfile
FormulaC24H38N2O
Net Charge0
Average Mass370.581
Monoisotopic Mass370.29841
SMILESCOc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
InChIKeyPHRCDWVPTULQMT-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
sigma-2 receptor agonist  A sigma receptor modulator that activates the sigma-2 receptor.
ChEBI Ontology
Outgoing Relation(s)
PB28 (CHEBI:189648) has role anticoronaviral agent (CHEBI:149553)
PB28 (CHEBI:189648) has role antineoplastic agent (CHEBI:35610)
PB28 (CHEBI:189648) has role apoptosis inducer (CHEBI:68495)
PB28 (CHEBI:189648) has role sigma-2 receptor agonist (CHEBI:189684)
PB28 (CHEBI:189648) is a aromatic ether (CHEBI:35618)
PB28 (CHEBI:189648) is a piperazines (CHEBI:26144)
PB28 (CHEBI:189648) is a tetralins (CHEBI:36786)
IUPAC Name 
1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
Synonyms  Source
PB 28ChEBI
PB-28ChEBI
1-cyclohexyl-4-[3-(1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl)propyl]piperazineChEBI
1-(3-(5-methoxytetralin-1-yl)propyl)-4-cyclohexylpiperazineChEBI
1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-n-propyl]piperazineChEBI
Manual XrefsDatabases
PB-28Wikipedia
8649746ChemSpider
Registry NumbersSources
CAS:172906-90-0ChEBI
Citations