PB28 (CHEBI:189648)

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ChEBI Name	PB28

ChEBI ID	CHEBI:189648

Definition	A 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.

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

Submitter	Jinyang Du

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Formula

C24H38N2O

Net Charge

Average Mass

370.581

Monoisotopic Mass

370.29841

InChI

InChI=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

InChIKey

PHRCDWVPTULQMT-UHFFFAOYSA-N

SMILES

COC1=CC=CC2=C1CCCC2CCCN1CCN(CC1)C1CCCCC1

Roles Classification
Biological Role(s):	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.

Application(s):	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	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	Sources
1-(3-(5-methoxytetralin-1-yl)propyl)-4-cyclohexylpiperazine	ChEBI
1-cyclohexyl-4-[3-(1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl)propyl]piperazine	ChEBI
1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-n-propyl]piperazine	ChEBI
PB 28	ChEBI
PB-28	ChEBI

Registry Number	Type	Source
172906-90-0	CAS Registry Number	ChEBI

Last Modified

11 February 2022