Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02QJW
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| Former ID |
DIB019152
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| Drug Name |
clofilium
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| Synonyms |
Clofilium; 68379-02-2; 4-(4-chlorophenyl)butyl-diethyl-heptylazanium; UNII-847G178BMC; 4-Chloro-N,N-diethyl-N-heptylbenzenebutanaminium; AC1L1EHQ; CHEMBL9484; Benzenebutanaminium, 4-chloro-N,N-diethyl-N-heptyl-; CHEBI:34649; 847G178BMC; MLS002154263; GNF-Pf-3889; SMR001233522; Prestwick2_000319; Prestwick3_000319; Prestwick1_000319; BSPBio_000318; SCHEMBL157537; SPBio_002537; cid_175533; GTPL2507; BPBio1_000350; DTXSID9048568; CTK2F6670; BDBM89440; ZINC8035458; NCGC00168464-02; NCGC00168464-01; 68379-03-3 (phosphate[1:1]); LS-186732
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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 |
C21H37ClN+
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| Canonical SMILES |
CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl
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| InChI |
1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1
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| InChIKey |
WPSYTTKBGAZSCX-UHFFFAOYSA-N
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| CAS Number |
CAS 68379-02-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
854018, 4302950, 7980451, 8151807, 11467467, 11486273, 29221953, 47216986, 47515532, 47589186, 47589187, 49698434, 50070299, 50070958, 50113156, 50113157, 50315463, 53801073, 57321467, 92098481, 103168791, 104040003, 104301643, 126407453, 129616320, 131333045, 135065239, 137231979, 141640747, 142611651, 162220962, 162633875, 179150928, 198985509, 223442442, 226521405, 244578489, 252661029
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| ChEBI ID |
CHEBI:34649
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Abundace of Studied Microbe(s) Regulated by Drug | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
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Studied Microbe: Eubacterium eligens
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Eubacterium eligens was decreased by Clofilium tosylate (adjusted p-values: 3.86E-03). | |||
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Studied Microbe: Eubacterium rectale
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Eubacterium rectale was decreased by Clofilium tosylate (adjusted p-values: 2.00E-04). | |||
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Studied Microbe: Roseburia hominis
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|
[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Roseburia hominis was decreased by Clofilium tosylate (adjusted p-values: 2.54E-04). | |||
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Studied Microbe: Roseburia intestinalis
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Roseburia intestinalis was decreased by Clofilium tosylate (adjusted p-values: 4.89E-03). | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Voltage-gated potassium channel Kv1.5 (KCNA5) | Target Info | Blocker (channel blocker) | [3] |
| Voltage-gated potassium channel Kv10.1 (KCNH1) | Target Info | Blocker (channel blocker) | [4] | |
| Pathwhiz Pathway | Muscle/Heart Contraction | |||
| Reactome | Voltage gated Potassium channels | |||
| WikiPathways | Potassium Channels | |||
| References | Top | |||
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| 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: 2507). | |||
| REF 2 | Extensive impact of non-antibiotic drugs on human gut bacteria. Nature. 2018 Mar 29;555(7698):623-628. | |||
| REF 3 | Mechanism of clofilium block of the human Kv1.5 delayed rectifier potassium channel. Mol Pharmacol. 1995 Jan;47(1):198-205. | |||
| REF 4 | Inhibition of hEAG1 and hERG1 potassium channels by clofilium and its tertiary analogue LY97241. Br J Pharmacol. 2003 Jan;138(1):161-71. | |||
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