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1-(((piperidin)ethyl)amino)pentyl)-Caffeine-Cpd28

EeAChE IC50 14nM hAChE 62 nM

General

Type : Purine, Alkaloid

Chemical_Nomenclature : 3,7-Dimethyl-1-(5-((2-(piperidin-1-yl)ethyl)amino)pentyl)-1H-purine-2,6(3H,7H)-dione

Canonical SMILES : N1(C(N(C2=C(C1=O)[N](C=N2)C)C)=O)CCCCCNCCN3CCCCC3

InChI : InChI=1S\/C19H32N6O2\/c1-22-15-21-17-16(22)18(26)25(19(27)23(17)2)13-8-3-5-9-20-10-14-24-11-6-4-7-12-24\/h15,20H,3-14H2,1-2H3

InChIKey : PPACWKTZIKFEFO-UHFFFAOYSA-N

Other name(s) : Compound 28

MW : 376.501

Formula : C19H32N6O2

CAS_number :

PubChem :

UniChem : PPACWKTZIKFEFO-UHFFFAOYSA-N

Target

Families : 1-(((piperidin)ethyl)amino)pentyl)-Caffeine-Cpd28 ligand of proteins in family
ACHE

Protein :
human-ACHE

References (1)

Title : Novel potent and selective dual acetylcholinesterase inhibitors: N-substituted theobromine and theophylline derivatives - Biscussi_2025_RSC.Med.Chem__
Author(s) : Biscussi B , Cueto-Diaz EJ , Perez C , Rodriguez-Franco MI , Murray AP
Ref : RSC Med Chem , : , 2025
Abstract :
PubMedSearch : Biscussi_2025_RSC.Med.Chem__
PubMedID: 40027350