Molecule Details
| InChIKey | ADEBPBSSDYVVLD-UHFFFAOYSA-N |
|---|---|
| Compound Name | Donepezil |
| Canonical SMILES | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00843 |
|---|---|
| Drug Name | Donepezil |
| CAS Number | 120014-06-4 |
| Groups | approved investigational |
| ATC Codes | N06DA52 N06DA53 N06DA02 |
| Description | In 2016, the global burden of dementia was estimated to be 43.8 million, demonstrating a significant increase from a global prevalence of 20.2 million in 1990.[A182411] Donepezil, also known as Aricept, is a piperidine derivative acetylcholinesterase inhibitor used in the management of the dementia ... |
Categories: Anti-Dementia Drugs BCRP/ABCG2 Substrates Bradycardia-Causing Agents Central Nervous System Agents Central Nervous System Depressants Cholinergic Agents Cholinesterase Inhibitors Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Enzyme Inhibitors Indans Indenes Muscle Relaxants Muscle Relaxants, Centrally Acting Agents Nervous System Neurotransmitter Agents Nootropic Agents Parasympathomemetic (Cholinergic) Agents Piperidines Psychoanaleptics
Cross-references: BindingDB: 8960 ChEBI: 145499 CHEMBL502 ChemSpider: 3040 Drugs Product Database (DPD): 11485 D00670 PharmGKB: PA449394 PubChem:3152 PubChem:46504803 RxCUI: 135447 Therapeutic Targets Database: DAP000560 Wikipedia: Donepezil
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O76074 | PDE5A | Homo sapiens | Human | PF01590 PF00233 | 8.0 | IC50 | ChEMBL |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.8 | Ki | ChEMBL |
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q04844 | CHRNE | Homo sapiens | Human | PF02931 PF02932 | 7.5 | IC50 | ChEMBL |
| P06276 | BCHE | Homo sapiens | Human | PF08674 PF00135 | 6.9 | IC50 | ChEMBL |
| P56817 | BACE1 | Homo sapiens | Human | PF00026 | 6.6 | IC50 | ChEMBL |
| Q9Y5N1 | HRH3 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.2 | IC50 | ChEMBL |
DrugBank Target Actions (14)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| Q05586 | GRIN1 | NMDA receptor | downregulator | targets |
| P01584 | IL1B | Interleukin-1 beta | inducer | targets |
| P06276 | BCHE | Cholinesterase | inducer | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | inducer | targets |
| P29475 | NOS1 | Nitric oxide synthase 1 | inducer | targets |
| P01584 | IL1B | Interleukin-1 beta | inhibitor | targets |
| P22303 | ACHE | Acetylcholinesterase | inhibitor | targets |
| P29475 | NOS1 | Nitric oxide synthase 1 | inhibitor | targets |
| P98066 | P98066 | Tumor necrosis factor-inducible gene 6 protein | inhibitor | targets |
| Q00653 | NFKB2 | Nuclear factor NF-kappa-B | inhibitor | targets |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |