Benzylpiperidine-isatin-Cpd15
MAO-A (IC50 = 0.108 +/- 0.004 microM, competitive and reversible) and AChE (IC50 = 0.034 +/- 0.002 microM, mixed and reversible)
General
Type : Monoamine-oxidase-inhibitor, Multitarget, Piperidine, Benzylpiperidine, Isatin, Alkyne
Chemical_Nomenclature :
Canonical SMILES : C1=CC=C(C=C1)CN2CCC(CC2)NCC(NN=C3\/C(N(C4=C3C=C(C=C4)Cl)CC#C)=O)=O
InChI : InChI=1S\/C25H26ClN5O2\/c1-2-12-31-22-9-8-19(26)15-21(22)24(25(31)33)29-28-23(32)16-27-20-10-13-30(14-11-20)17-18-6-4-3-5-7-18\/h1,3-9,15,20,27H,10-14,16-17H2,(H,28,32)
InChIKey : SYLXEBVMNMZDLV-UHFFFAOYSA-N
Other name(s) :
Target
Families : Benzylpiperidine-isatin-Cpd15 ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Multi-targeted benzylpiperidine-isatin hybrids: Design, synthesis, biological and in silico evaluation as monoamine oxidases and acetylcholinesterase inhibitors for neurodegenerative disease therapies - Negi_2025_J.Comput.Aided.Mol.Des_39_10 |
| Author(s) : Negi N , Ayyannan SR , Tripathi RKP |
| Ref : J Comput Aided Mol Des , 39 :10 , 2025 |
| Abstract : |
| PubMedSearch : Negi_2025_J.Comput.Aided.Mol.Des_39_10 |
| PubMedID: 40021503 |