CHEMBL5647316-11a
11a AChE IC50 = 0.048 microM; Phosphodiesterase 9A (PDE9A) IC50 = 0.530 microM
General
Type : Pyrimidine, Phosphodiesterase-IN, Multitarget, Piperidine, Pyrazole, Benzylpiperidine, Derivative of Donepezil
Chemical_Nomenclature : 6-[2-(1-benzylpiperidin-4-yl)ethoxymethyl]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
Canonical SMILES : C1CCC(C1)N2C3=C(C=N2)C(=O)NC(=N3)COCCC4CCN(CC4)CC5=CC=CC=C5
InChI : InChI=1S\/C25H33N5O2\/c31-25-22-16-26-30(21-8-4-5-9-21)24(22)27-23(28-25)18-32-15-12-19-10-13-29(14-11-19)17-20-6-2-1-3-7-20\/h1-3,6-7,16,19,21H,4-5,8-15,17-18H2,(H,27,28,31)
InChIKey : HMNNGFZGSKJZAA-UHFFFAOYSA-N
Other name(s) : CHEMBL5647316 || Compound 11a
MW : 435.6
Formula : C25H33N5O2
CAS_number :
PubChem : 177372161
UniChem : HMNNGFZGSKJZAA-UHFFFAOYSA-N
Target
Families : CHEMBL5647316-11a ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Design, Synthesis, and Biological Evaluation of Dual-Target Inhibitors of Acetylcholinesterase (AChE) and Phosphodiesterase 9A (PDE9A) for the Treatment of Alzheimer's Disease - Hu_2019_ACS.Chem.Neurosci_10_537 |
| Author(s) : Hu J , Huang YD , Pan T , Zhang T , Su T , Li X , Luo HB , Huang L |
| Ref : ACS Chem Neurosci , 10 :537 , 2019 |
| Abstract : |
| PubMedSearch : Hu_2019_ACS.Chem.Neurosci_10_537 |
| PubMedID: 30252439 |