Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D08DAE
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| Former ID |
DNC011828
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| Drug Name |
CHOLINE
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| Synonyms |
choline; Choline ion; Bilineurine; Choline cation; Cholinum; 2-Hydroxy-N,N,N-trimethylethanaminium; 62-49-7; (2-Hydroxyethyl)trimethylammonium; trimethylethanolamine; N-trimethylethanolamine; Ethanaminium, 2-hydroxy-N,N,N-trimethyl-; CCRIS 5847; UNII-N91BDP6H0X; AI3-24208; BRN 1736748; N,N,N-trimethylethanol-ammonium; CHEBI:15354; (beta-hydroxyethyl)trimethylammonium; EINECS 200-535-1; CHEMBL920; N91BDP6H0X; 2-hydroxyethyl(trimethyl)ammonium
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C5H14NO+
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| Canonical SMILES |
C[N+](C)(C)CCO
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| InChI |
1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
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| InChIKey |
OEYIOHPDSNJKLS-UHFFFAOYSA-N
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| CAS Number |
CAS 62-49-7
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| PubChem Compound ID | ||||
| PubChem Substance ID |
2233, 3414, 539149, 590083, 608363, 821095, 821590, 821695, 828440, 829111, 841597, 6152900, 7767976, 7886600, 7978932, 8143147, 8150565, 11110922, 11335282, 11360521, 11363152, 11365714, 11368276, 11374671, 11376438, 11461493, 11485711, 11489754, 11492682, 11494072, 12125265, 14710526, 17435852, 24438681, 24892739, 32656435, 39988658, 46392765, 46508132, 47365030, 47440099, 47736312, 48409865, 49754889, 49754890, 49903094, 50110963, 51073513, 53776826, 53788168
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| ChEBI ID |
CHEBI:15354
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Gut microbiota | ||||
| Studied Microbe: Gut microbiota unspecific | [2], [3] | |||
| Microbial Enzyme | Glycyl radical enzyme | |||
| Metabolic Reaction | C-N bond cleavage | |||
| Resulting Metabolite | Trimethylamine | |||
| Metabolic Effect | Increase toxicity | |||
| Description | Choline can be metabolized to Trimethylamine by the glycyl radical enzyme of gut microbiota through C-N bond cleavage, which results in the increase of the drug's toxicity. | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Neuronal acetylcholine receptor alpha-2 (CHRNA2) | Target Info | Inhibitor | [4] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Panther Pathway | Nicotinic acetylcholine receptor signaling pathway | |||
| Reactome | Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |||
| Highly calcium permeable nicotinic acetylcholine receptors | ||||
| WikiPathways | Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4551). | |||
| REF 2 | Gut Reactions: Breaking Down Xenobiotic-Microbiome Interactions. Pharmacol Rev. 2019 Apr;71(2):198-224. | |||
| REF 3 | Gut Microbiome and Response to Cardiovascular Drugs. Circ Genom Precis Med. 2019 Sep;12(9):421-429. | |||
| REF 4 | Pharmacology of the agonist binding sites of rat neuronal nicotinic receptor subtypes expressed in HEK 293 cells. Bioorg Med Chem Lett. 2004 Apr 19;14(8):1845-8. | |||
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