Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00070
|
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| Drug Name |
Acetylcholine
|
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| Synonyms |
Miochol; Miochol-e
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| Drug Type |
Small molecular drug
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| Indication | Cataract [ICD11:9B10] | Approved | [1] | |||
| Therapeutic Class |
Cardiovascular Agents
|
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C7H16NO2+
|
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| Canonical SMILES |
CC(=O)OCC[N+](C)(C)C
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| InChI |
InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
|
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| InChIKey |
OIPILFWXSMYKGL-UHFFFAOYSA-N
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| CAS Number |
CAS 51-84-3
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| Pharmaceutical Properties | Molecular Weight | 146.21 | Topological Polar Surface Area | 26.3 | ||
| Heavy Atom Count | 10 | Rotatable Bond Count | 4 | |||
| Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 2 | |||
| XLogP |
0.2
|
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| PubChem CID | ||||||
| PubChem SID |
103061050
,104234160
,104294102
,11109642
,11335861
,11361100
,11362796
,11365358
,11367920
,11371392
,11373691
,11376082
,11462072
,11484932
,11489074
,11490102
,11491951
,11493836
,12125264
,15041454
,2096
,22394665
,24438564
,26746577
,26756572
,46504484
,47365195
,47440269
,47515326
,4841588
,4841589
,49903095
,50100837
,50103887
,5093
,51015577
,51071830
,53790976
,53812333
,53812666
,57320023
,590084
,7885682
,7978526
,8145821
,8150495
,842105
,84970650
,85209498
,92308690
|
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| ChEBI ID |
CHEBI:15355
|
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 1-Oct | Transporter Info | Organic cation transporter 1 | Substrate | [2] | |
| 3-Oct | Transporter Info | Organic cation transporter 3 | Substrate | [3] | ||
| CTL4 | Transporter Info | Choline transporter-like protein 4 | Substrate | [4] | ||
| VACHT | Transporter Info | Vesicular acetylcholine transporter | Substrate | [5] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | VACHT | Transporter Info | Km =1000 microM | Synaptic vesicles-VAChT | [5] | |
| References | ||||||
| 1 | Acetylcholine was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Role of acetylcholine and polyspecific cation transporters in serotonin-induced bronchoconstriction in the mouse. Respir Res. 2006 Apr 12;7:65. | |||||
| 3 | Organic cation transporters: physiology, toxicology and special focus on ethidium as a novel substrate. Curr Drug Metab. 2009 Jul;10(6):617-31. | |||||
| 4 | Choline transporter-like protein 4 (CTL4) links to non-neuronal acetylcholine synthesis. J Neurochem. 2013 Aug;126(4):451-61. | |||||
| 5 | SLC18: Vesicular neurotransmitter transporters for monoamines and acetylcholine. Mol Aspects Med. 2013 Apr-Jun;34(2-3):360-72. | |||||
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