| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 28 | Yes |
Popular Name: Donepezil hydrochloride Donepezil hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 110119-84-1 , 110119-84-1; 120011-70-3; 120014-06-4; 142057-77-0; 64-17-5 , 120011-70-3 , 120014-06-4 , 142057-77-0 , 64-17-5 , [110119-84-1] , [120011-70-3] , [120014-06-4]
1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE
120011-70-3; Aricept (TN); D00670; Donepezil hydrochloride (JP16/USAN)
120014-06-4; D07869; Donaz (TN); Donepezil (INN)
2,3-Dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-1H-inden-1-one
2,3-Dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-1H-inden-1-one hydrochloride
2-((1-Benzylpiperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
2-((1-Benzylpiperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one hydrochloride
2-((1-Benzylpiperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-onehydrochloride
2-[ methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
2-[(1-Benzyl-4-piperidyl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
2-[(1-Benzyl-4-piperidyl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one hydrochloride
2-[(1-Benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-onhydrochlorid
Aricept;Aricept ODT;Donepezil hydrochloride
BENZYLPIPERIDINYLMETHYLDIMETHOXYDIHYDROINDENON
CPD000449292; Donepezil; SAM001247029
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.10 | 12.57 | -50.55 | 1 | 4 | 1 | 40 | 380.508 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.50e-03 g/l | DrugBank-experimental |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Therapy | acetylcholinesterase inhibitor (reversible) | SMDC MicroSource |
| therap | acetylcholinesterase inhibitor (reversible), cognitive enhancer | MicroSource Spectrum |
| Target | AChR | Selleck Chemicals |
| Indications | antidementia | KeyOrganics Bioactives |
| Purity | BP2000; 99% | APIChem |
| UniProt Database Links | CHLE_MOUSE | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100554; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100554; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 5 | 0.42 | Binding ≤ 10μM |
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 8 | 0.40 | Binding ≤ 10μM |
| CHLE-1-E | Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 840 | 0.30 | Binding ≤ 10μM |
| CLAT-2-E | Choline Acetylase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5 | 0.42 | Binding ≤ 10μM |
| HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 350 | 0.32 | Binding ≤ 10μM |
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 1995 | 0.29 | Binding ≤ 10μM |
| Q9JKC1-1-E | Butyrylcholinesterase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7600 | 0.26 | Binding ≤ 10μM |
| Q9N1N9-1-E | Butyrylcholinesterase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 640 | 0.31 | Binding ≤ 10μM |
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 43 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 11.6 | 0.40 | Binding ≤ 1μM |
| ACES_MOUSE | P21836 | Acetylcholinesterase, Mouse | 5.7 | 0.41 | Binding ≤ 1μM |
| ACES_TORCA | P04058 | Acetylcholinesterase, Torca | 5.7 | 0.41 | Binding ≤ 1μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 120 | 0.35 | Binding ≤ 1μM |
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 5.3 | 0.41 | Binding ≤ 1μM |
| ACES_BOVIN | P23795 | Acetylcholinesterase, Bovin | 8.12 | 0.40 | Binding ≤ 1μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 640 | 0.31 | Binding ≤ 1μM |
| Q9N1N9_HORSE | Q9N1N9 | Butyrylcholinesterase, Horse | 640 | 0.31 | Binding ≤ 1μM |
| CLAT_RAT | P32738 | Choline Acetylase, Rat | 5.3 | 0.41 | Binding ≤ 1μM |
| CHLE_HORSE | P81908 | Cholinesterase, Horse | 840 | 0.30 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 350 | 0.32 | Binding ≤ 1μM |
| ACES_BOVIN | P23795 | Acetylcholinesterase, Bovin | 8.12 | 0.40 | Binding ≤ 10μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 11.6 | 0.40 | Binding ≤ 10μM |
| ACES_MOUSE | P21836 | Acetylcholinesterase, Mouse | 5.7 | 0.41 | Binding ≤ 10μM |
| ACES_TORCA | P04058 | Acetylcholinesterase, Torca | 5.7 | 0.41 | Binding ≤ 10μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 120 | 0.35 | Binding ≤ 10μM |
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 5.3 | 0.41 | Binding ≤ 10μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 7273 | 0.26 | Binding ≤ 10μM |
| Q9N1N9_HORSE | Q9N1N9 | Butyrylcholinesterase, Horse | 3600 | 0.27 | Binding ≤ 10μM |
| Q9JKC1_RAT | Q9JKC1 | Butyrylcholinesterase, Rat | 7138 | 0.26 | Binding ≤ 10μM |
| CLAT_RAT | P32738 | Choline Acetylase, Rat | 5.3 | 0.41 | Binding ≤ 10μM |
| CHLE_HORSE | P81908 | Cholinesterase, Horse | 3600 | 0.27 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 1995.26231 | 0.29 | Binding ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 350 | 0.32 | Binding ≤ 10μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 43 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors | |
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin | |
| Voltage gated Potassium channels |
