Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0I2FI
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| Former ID |
DIB018049
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| Drug Name |
dequalinium
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| Synonyms |
dequalinium; Dequadin; 6707-58-0; UNII-E7QC7V26B8; Dequavagyn; Decamine; Labosept; Sorot; GNF-Pf-5483; E7QC7V26B8; CHEBI:41872; Polycidine; Dequavet; Dekadin; Rumilet; Dekamin; Sentril; Sanoral; Oralgol; Ivazil; Dequadin chloride; Dequalin chloride; C30H40N4; DEQ; 1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium); Solvidont; Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-; 1-[10-(4-amino-2-methylquinolyl)decyl]-2-methyl-4-quinolylamine; CHEMBL121663
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| Drug Type |
Small molecular drug
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| Indication | Myelopathy [ICD-11: 8B42] | Clinical trial | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C30H40N4+2
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| Canonical SMILES |
CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C
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| InChI |
1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2
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| InChIKey |
PCSWXVJAIHCTMO-UHFFFAOYSA-P
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| CAS Number |
CAS 6707-58-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
794674, 823756, 5321553, 5321554, 7886971, 7980363, 8151905, 11111064, 11111065, 11113637, 11335927, 11361166, 11363045, 11365607, 11368169, 11374253, 11376331, 11405693, 11447327, 11462138, 11466416, 11467536, 11484395, 11486232, 11488466, 11492572, 11493965, 24262993, 29222142, 46507206, 47216801, 47216802, 47216803, 47365217, 47365218, 47810773, 47959772, 48185024, 48498627, 49698466, 50065046, 50104538, 50126458, 50126464, 56435827, 56435829, 57321546, 68533857, 76767627, 90340946
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| ChEBI ID |
CHEBI:41872
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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): Bacteroidales | ||||
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Studied Microbe: Bacteroides caccae
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides caccae was decreased by Dequalinium dichloride (adjusted p-values: 9.53E-06). | |||
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Studied Microbe: Bacteroides ovatus
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides ovatus was decreased by Dequalinium dichloride (adjusted p-values: 6.75E-03). | |||
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Studied Microbe: Bacteroides thetaiotaomicron
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides thetaiotaomicron was decreased by Dequalinium dichloride (adjusted p-values: 4.78E-04). | |||
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Studied Microbe: Bacteroides uniformis
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides uniformis was decreased by Dequalinium dichloride (adjusted p-values: 1.09E-04). | |||
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Studied Microbe: Bacteroides vulgatus
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides vulgatus was decreased by Dequalinium dichloride (adjusted p-values: 1.28E-03). | |||
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Studied Microbe: Odoribacter splanchnicus
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Odoribacter splanchnicus was decreased by Dequalinium dichloride (adjusted p-values: 1.06E-03). | |||
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Studied Microbe: Parabacteroides distasonis
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Parabacteroides distasonis was decreased by Dequalinium dichloride (adjusted p-values: 6.67E-06). | |||
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Studied Microbe: Parabacteroides merdae
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Parabacteroides merdae was decreased by Dequalinium dichloride (adjusted p-values: 8.73E-06). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Bifidobacteriales | ||||
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Studied Microbe: Bifidobacterium adolescentis
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bifidobacterium adolescentis was decreased by Dequalinium dichloride (adjusted p-values: 5.04E-06). | |||
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Studied Microbe: Bifidobacterium longum
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bifidobacterium longum was decreased by Dequalinium dichloride (adjusted p-values: 5.04E-06). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Coriobacteriales | ||||
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Studied Microbe: Collinsella aerofaciens
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Collinsella aerofaciens was decreased by Dequalinium dichloride (adjusted p-values: 5.05E-05). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eggerthellales | ||||
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Studied Microbe: Eggerthella lenta
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Eggerthella lenta was decreased by Dequalinium dichloride (adjusted p-values: 3.03E-05). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Erysipelotrichales | ||||
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Studied Microbe: Erysipelatoclostridium ramosum
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Erysipelatoclostridium ramosum was decreased by Dequalinium dichloride (adjusted p-values: 5.30E-03). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
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Studied Microbe: Blautia obeum
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Blautia obeum was decreased by Dequalinium dichloride (adjusted p-values: 5.55E-06). | |||
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Studied Microbe: Clostridium perfringens
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Clostridium perfringens was decreased by Dequalinium dichloride (adjusted p-values: 5.51E-07). | |||
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Studied Microbe: Coprococcus comes
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Coprococcus comes was decreased by Dequalinium dichloride (adjusted p-values: 8.50E-04). | |||
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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 Dequalinium dichloride (adjusted p-values: 9.24E-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 Dequalinium dichloride (adjusted p-values: 3.73E-04). | |||
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Studied Microbe: Lacrimispora saccharolytica
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Lacrimispora saccharolytica was decreased by Dequalinium dichloride (adjusted p-values: 1.17E-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 Dequalinium dichloride (adjusted p-values: 3.60E-05). | |||
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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 Dequalinium dichloride (adjusted p-values: 4.25E-04). | |||
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Studied Microbe: Ruminococcus bromii
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Ruminococcus bromii was decreased by Dequalinium dichloride (adjusted p-values: 1.59E-04). | |||
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Studied Microbe: Ruminococcus gnavus
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Ruminococcus gnavus was decreased by Dequalinium dichloride (adjusted p-values: 2.61E-05). | |||
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Studied Microbe: Ruminococcus torques
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Ruminococcus torques was decreased by Dequalinium dichloride (adjusted p-values: 7.77E-03). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Lactobacillales | ||||
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Studied Microbe: Lactobacillus paracasei
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Lactobacillus paracasei was decreased by Dequalinium dichloride (adjusted p-values: 6.19E-07). | |||
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Studied Microbe: Streptococcus parasanguinis
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Streptococcus parasanguinis was decreased by Dequalinium dichloride (adjusted p-values: 7.50E-04). | |||
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Studied Microbe: Streptococcus salivarius
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Streptococcus salivarius was decreased by Dequalinium dichloride (adjusted p-values: 5.76E-05). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Veillonellales | ||||
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Studied Microbe: Veillonella parvula
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Veillonella parvula was decreased by Dequalinium dichloride (adjusted p-values: 5.04E-06). | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Calcium-activated potassium channel KCa2.1 (KCNN1) | Target Info | Blocker (channel blocker) | [3] |
| Calcium-activated potassium channel KCa2.2 (KCNN2) | Target Info | Blocker (channel blocker) | [4] | |
| Calcium-activated potassium channel KCa2.3 (KCNN3) | Target Info | Blocker (channel blocker) | [1] | |
| Cyclic nucleotide-gated channel alpha-1 (CNGA1) | Target Info | Blocker (channel blocker) | [5] | |
| Cyclic nucleotide-gated channel alpha-2 (CNGA2) | Target Info | Blocker (channel blocker) | [6] | |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Pharmacological characterisation of the human small conductance calcium-activated potassium channel hSK3 reveals sensitivity to tricyclic antidepressants and antipsychotic phenothiazines. Neuropharmacology. 2001 May;40(6):772-83. | |||
| REF 2 | Extensive impact of non-antibiotic drugs on human gut bacteria. Nature. 2018 Mar 29;555(7698):623-628. | |||
| REF 3 | Pharmacological characterization of small-conductance Ca(2+)-activated K(+) channels stably expressed in HEK 293 cells. Br J Pharmacol. 2000 Mar;129(5):991-9. | |||
| REF 4 | Block of rat brain recombinant SK channels by tricyclic antidepressants and related compounds. Eur J Pharmacol. 2000 Jul 28;401(1):1-7. | |||
| REF 5 | Dequalinium: a novel, high-affinity blocker of CNGA1 channels. J Gen Physiol. 2003 Jan;121(1):37-47. | |||
| REF 6 | State-dependent block of CNG channels by dequalinium. J Gen Physiol. 2004 Mar;123(3):295-304. | |||
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