Cloquinate (CED0046885)

Record Information
Version1.0
Creation Date2026-04-05 18:14:45 UTC
Update Date2026-04-05 18:14:45 UTC
SynCED IDCED0046885
Secondary Accession Numbers
  • CHEM105769
Identification
Common NameCloquinate
ClassSmall Molecule
Description
Cloquinate belongs to the hydroxyquinolines, a subclass of quinolines and derivatives within the organic compounds. It is an organoheterocyclic compound with the chemical formula C36H38ClI2N5O8S2.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC36H38ClI2N5O8S2
Average Molecular MassNot Available
Monoisotopic Mass1020.994 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C18H26ClN3.2C9H6INO4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*1-4,12H,(H,13,14,15)
InChI KeyUSABWIQJRBGMKQ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
695.0 Log mg/kg [390:1200]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementNot Available
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementNot Available
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.499
Applicability Domain
0.647
Statistical Significance
0.0014
Supporting Reference Compounds
487
E-value
11.2881
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.499
Applicability Domain
0.647
Statistical Significance
5.50e-04
Supporting Reference Compounds
373
E-value
4.28171
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.499
Applicability Domain
0.647
Statistical Significance
7.10e-04
Supporting Reference Compounds
310
E-value
5.52729
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.469
Applicability Domain
0.647
Statistical Significance
0.004
Supporting Reference Compounds
562
E-value
30.984
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)
Prediction Confidence Score
0.462
Applicability Domain
0.647
Statistical Significance
0.0013
Supporting Reference Compounds
308
E-value
10.1204
Click to view 3D structureHistidine-rich protein PFHRP-IIP05227Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.46
Applicability Domain
0.647
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.46
Applicability Domain
0.647
Statistical Significance
9.40e-04
Supporting Reference Compounds
297
E-value
7.31783
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.442
Applicability Domain
0.647
Statistical Significance
0.015
Supporting Reference Compounds
1498
E-value
116.462
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.428
Applicability Domain
0.647
Statistical Significance
0.0025
Supporting Reference Compounds
385
E-value
19.5402
Histamine N-methyltransferase structureClick to view 3D structureHistamine N-methyltransferaseP50135HumansPredicted (SEA)
Prediction Confidence Score
0.386
Applicability Domain
0.386
Statistical Significance
6.00e-05
Supporting Reference Compounds
1
E-value
0.467095
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.647
Statistical Significance
0.0076
Supporting Reference Compounds
386
E-value
59.0876
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.647
Statistical Significance
0.0051
Supporting Reference Compounds
109
E-value
40.0924
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.443
Statistical Significance
0.027
Supporting Reference Compounds
861
E-value
210.504
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.443
Statistical Significance
0.0348
Supporting Reference Compounds
532
E-value
270.915
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.443
Statistical Significance
0.0109
Supporting Reference Compounds
340
E-value
84.7778
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.39
Statistical Significance
0.0455
Supporting Reference Compounds
1130
E-value
354.37
Angiotensin-converting enzyme 2 structureClick to view 3D structureAngiotensin-converting enzyme 2Q9BYF1HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.647
Statistical Significance
0.0091
Supporting Reference Compounds
18
E-value
71.232
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.443
Statistical Significance
0.0563
Supporting Reference Compounds
955
E-value
438.291
Major prion protein structureClick to view 3D structureMajor prion proteinP04156HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.647
Statistical Significance
2.50e-04
Supporting Reference Compounds
34
E-value
1.94623
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.443
Statistical Significance
0.0438
Supporting Reference Compounds
686
E-value
341.291
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.603
Statistical Significance
0.0212
Supporting Reference Compounds
258
E-value
165.04
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.647
Statistical Significance
0.0152
Supporting Reference Compounds
215
E-value
118.019
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.443
Statistical Significance
0.0278
Supporting Reference Compounds
294
E-value
216.187
Riboflavin-binding protein structureClick to view 3D structureRiboflavin-binding proteinP02752Gallus gallusPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.647
Statistical Significance
2.00e-05
Supporting Reference Compounds
4
E-value
0.155698
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.443
Statistical Significance
0.037
Supporting Reference Compounds
425
E-value
287.964
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available