| Compound Information | SONAR Target prediction |
| Name: | DONEPEZIL HYDROCHLORIDE |
| Unique Identifier: | SPE01504403 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 385.714 g/mol |
| X log p: | 15.35 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 38.77 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 6 |
| Canonical Smiles: | Cl.COc1cc2CC(CC3CCN(CC3)Cc3ccccc3)C(=O)c2cc1OC |
| Source: | synthetic; E-2020, BNAG |
| Therapeutics: | acetylcholinesterase inhibitor (reversible), cognitive enhancer |
| Generic_name: | Donepezil |
| Chemical_iupac_name: | 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449394 |
| Drugbank_id: | APRD00039 |
| Melting_point: | 206.72 oC |
| H2o_solubility: | 2.931 mg/L |
| Logp: | 4.498 |
| Cas_registry_number: | 120014-06-4 |
| Drug_category: | Nootropic Agents; Parasympathomimetics; ATC:N06DA02 |
| Indication: | For management of symptoms associated with Alzheimer-s Disease |
| Pharmacology: | Donepezil is a parasympathomimetic, specifically, a reversible cholinesterase inhibitor. Donepezil is indicated for the treatment of mild to moderate dementia of the Alzheimer-s type. Donepezil is postulated to exert its therapeutic effect by enhancing cholinergic function. This is accomplished by increasing the concentration of acetylcholine through reversible inhibition of its hydrolysis by acetylcholinesterase. If this proposed mechanism of action is correct, Donepezil-s effect may lessen as the disease process advances and fewer cholinergic neurons remain functionally intact. There is no evidence that Donepezil alters the course of the underlying dementing process. |
| Mechanism_of_action: | Donepezil-s proposed mechanism of action involves the increase of the concentration of acetylcholine through reversible inhibition of its hydrolysis by acetylcholinesterase. |
| Organisms_affected: | Humans and other mammals |
| Found: 46 active | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [46] |
| Species: | 4932 |
| Condition: | BCK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7193±0.0281428 |
| Normalized OD Score: sc h | 0.6573±0.0185553 |
| Z-Score: | -6.6940±0.244228 |
| p-Value: | 0.0000000000381352 |
| Z-Factor: | 0.308525 |
| Fitness Defect: | 23.9899 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 8 | 1 2 Next >> |
| 3152 | 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
| 5741 | 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one hydrochloride |
| 450956 | 2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
| 969462 | (2S)-2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
| 1150567 | (2R)-2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
| 3876660 | 2-[(1-benzyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 6572 | Additional Members: 6 | Rows returned: 0 |
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