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Literature summary for 3.1.1.7 extracted from
- Novel NHC precursors synthesis, characterization, and carbonic anhydrase and acetylcholinesterase inhibitory properties (2017), Arch. Pharm., 350, e1700045 .
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 1-(4-vinylbenzyl)-3-(2,3,5,6-tetramethylbenzyl)-imidazolidinium | - |
Homo sapiens |  |
| 1-(4-vinylbenzyl)-3-(2,4,6-trimethylbenzyl)-imidazolidinium | - |
Homo sapiens | |
| 1-(4-vinylbenzyl)-3-(2-methylbenzyl)-imidazolidinium | - |
Homo sapiens | |
| 1-(4-vinylbenzyl)-3-(3-methylbenzyl)-imidazolidinium | - |
Homo sapiens | |
| 1-(4-vinylbenzyl)-3-(4-methylbenzyl)-imidazolidinium | - |
Homo sapiens | |
| 1-(4-vinylbenzyl)-3-benzylimidazolidinium | - |
Homo sapiens | |
| 1-benzyl-2-chloro-3-(2,3-dihydro-benzo[1,4]-dioxin-2-ylmethyl)imidazolidine | - |
Homo sapiens | |
| 2-(3-[2-bromo-3-(2,3,5,6-tetramethylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | - |
Homo sapiens | |
| 2-(3-[2-bromo-3-(2,4,6-trimethylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | - |
Homo sapiens | |
| 2-(3-[2-bromo-3-(2-methylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | - |
Homo sapiens | |
| 2-(3-[2-bromo-3-(3-methylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | - |
Homo sapiens | |
| 2-(3-[2-bromo-3-(4-methylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | - |
Homo sapiens | |
| 2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(2,3,5,6-tetramethylbenzyl)imidazolidine | - |
Homo sapiens | |
| 2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(2,4,6-trimethylbenzyl)imidazolidine | - |
Homo sapiens | |
| 2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(2-methylbenzyl)imidazolidine | - |
Homo sapiens | |
| 2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(3-methylbenzyl)imidazolidine | - |
Homo sapiens | |
| 2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(4-methylbenzyl)imidazolidine | - |
Homo sapiens | |
| 2-[3-(3-benzyl-2-bromo-imidazolidin-1-yl)-propyl]isoindole-1,3-dione | - |
Homo sapiens | |
| additional information | synthesis of three series of imidazolidinium ligands (NHC precursors) substituted with 4-vinylbenzyl, 2-methyl-1,4-benzodioxane, and N-propylphthalimide, and evaluation of the inhibitory potency against enzyme AChE | Homo sapiens | |
| tacrine | - |
Homo sapiens | |
Localization
| Localization | Comment | Organism | GeneOntology No. | Textmining |
|---|---|---|---|---|
| membrane | membrane-bound enzyme | Homo sapiens | 16020 | - |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| acetylcholine + H2O | Homo sapiens | - |
choline + acetate | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | P22303 | - |
- |
Source Tissue
| Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|
| brain | in the mammalian brain, most of the AChE exists in the membrane-bound G4 form, but its level declines as the neurons degenerate | Homo sapiens | - |
| muscle | - |
Homo sapiens | - |
| neuron | - |
Homo sapiens | - |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| acetylcholine + H2O | - |
Homo sapiens | choline + acetate | - |
? | |
| acetylthiocholine + H2O | - |
Homo sapiens | thiocholine + acetate | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| AChE | - |
Homo sapiens |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.00001762 | - |
2-(3-[2-bromo-3-(2,3,5,6-tetramethylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00002342 | - |
1-(4-vinylbenzyl)-3-(2,3,5,6-tetramethylbenzyl)-imidazolidinium | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00002419 | - |
2-[3-(3-benzyl-2-bromo-imidazolidin-1-yl)-propyl]isoindole-1,3-dione | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00002455 | - |
2-(3-[2-bromo-3-(3-methylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00002478 | - |
1-(4-vinylbenzyl)-3-(4-methylbenzyl)-imidazolidinium | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00002774 | - |
2-(3-[2-bromo-3-(2,4,6-trimethylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | pH and temperature not specified in the publication | Homo sapiens | |
| 0.0000286 | - |
2-(3-[2-bromo-3-(4-methylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | pH and temperature not specified in the publication | Homo sapiens | |
| 0.0000303 | - |
2-(3-[2-bromo-3-(2-methylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00003053 | - |
2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(2,3,5,6-tetramethylbenzyl)imidazolidine | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00003233 | - |
2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(2-methylbenzyl)imidazolidine | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00003322 | - |
1-(4-vinylbenzyl)-3-(2,4,6-trimethylbenzyl)-imidazolidinium | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00003432 | - |
2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(2,4,6-trimethylbenzyl)imidazolidine | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00004421 | - |
1-(4-vinylbenzyl)-3-benzylimidazolidinium | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00004665 | - |
1-(4-vinylbenzyl)-3-(3-methylbenzyl)-imidazolidinium | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00004904 | - |
2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(4-methylbenzyl)imidazolidine | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00005008 | - |
1-benzyl-2-chloro-3-(2,3-dihydro-benzo[1,4]-dioxin-2-ylmethyl)imidazolidine | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00005205 | - |
1-(4-vinylbenzyl)-3-(2-methylbenzyl)-imidazolidinium | pH and temperature not specified in the publication | Homo sapiens | |
| 0.00006204 | - |
2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(3-methylbenzyl)imidazolidine | pH and temperature not specified in the publication | Homo sapiens | |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.00002898 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(3-[2-bromo-3-(2,3,5,6-tetramethylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | |
| 0.00003116 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(3-[2-bromo-3-(2,4,6-trimethylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | |
| 0.00003451 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(2,3,5,6-tetramethylbenzyl)imidazolidine | |
| 0.00003885 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(2-methylbenzyl)imidazolidine | |
| 0.00004031 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-[3-(3-benzyl-2-bromo-imidazolidin-1-yl)-propyl]isoindole-1,3-dione | |
| 0.00004046 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(4-vinylbenzyl)-3-(2,4,6-trimethylbenzyl)-imidazolidinium | |
| 0.00004081 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(3-[2-bromo-3-(4-methylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | |
| 0.00004249 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(4-vinylbenzyl)-3-(4-methylbenzyl)-imidazolidinium | |
| 0.0000428 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(2,4,6-trimethylbenzyl)imidazolidine | |
| 0.00004378 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(3-[2-bromo-3-(3-methylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | |
| 0.00004394 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-(3-[2-bromo-3-(2-methylbenzyl)imidazolidin-1-yl]-propyl)-isoindole-1,3-dione | |
| 0.00004422 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(4-vinylbenzyl)-3-(2,3,5,6-tetramethylbenzyl)-imidazolidinium | |
| 0.00004565 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(4-vinylbenzyl)-3-(3-methylbenzyl)-imidazolidinium | |
| 0.00004629 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(4-vinylbenzyl)-3-(2-methylbenzyl)-imidazolidinium | |
| 0.00004753 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-benzyl-2-chloro-3-(2,3-dihydro-benzo[1,4]-dioxin-2-ylmethyl)imidazolidine | |
| 0.00004901 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(3-methylbenzyl)imidazolidine | |
| 0.00005047 | - |
pH and temperature not specified in the publication | Homo sapiens | 2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(4-methylbenzyl)imidazolidine | |
| 0.00005593 | - |
pH and temperature not specified in the publication | Homo sapiens | 1-(4-vinylbenzyl)-3-benzylimidazolidinium | |
General Information
| General Information | Comment | Organism |
|---|---|---|
| physiological function | acetylcholinesterase (AChE) plays an important role in cholinergic transmission by hydrolyzing the neurotransmitter acetylcholine to acetate and choline | Homo sapiens |
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