S21-1001
eqBChE IC50 = 0.059 +/- 0.006 microM, hBChE IC50 = 0.162 +/- 0.069 microM
General
Type : Piperazine, Quinoline
Chemical_Nomenclature : N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]-4-propylbenzamide
Canonical SMILES : CCCC1=CC=C(C=C1)C(=O)NC2=C(C3=CC=CC=C3N=C2)N4CCN(CC4)CC5=CC=CC=C5
InChI : InChI=1S\/C30H32N4O\/c1-2-8-23-13-15-25(16-14-23)30(35)32-28-21-31-27-12-7-6-11-26(27)29(28)34-19-17-33(18-20-34)22-24-9-4-3-5-10-24\/h3-7,9-16,21H,2,8,17-20,22H2,1H3,(H,32,35)
InChIKey : JNPBFKFVHWCUPF-UHFFFAOYSA-N
Other name(s) :
MW : 464.6
Formula : C30H32N4O
CAS_number :
PubChem : 156771099
UniChem : JNPBFKFVHWCUPF-UHFFFAOYSA-N
Target
Families : S21-1001 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Discovery of 4-benzylpiperazinequinoline BChE inhibitor that suppresses neuroinflammation for the treatment of Alzheimer's disease - Chen_2024_Eur.J.Med.Chem_272_116463 |
| Author(s) : Chen Y , Zhang W , Li Q , Xie H , Xing S , Lu X , Lyu W , Xiong B , Wang Y , Qu W , Liu W , Chi H , Zhang X , Feng F , Sun H |
| Ref : Eur Journal of Medicinal Chemistry , 272 :116463 , 2024 |
| Abstract : |
| PubMedSearch : Chen_2024_Eur.J.Med.Chem_272_116463 |
| PubMedID: 38704944 |