3-bromo-6-fluoro-2-methyl-1-(1h-1,2,4-triazol-5-ylsulfonyl)indole (CED0234685)

Record Information
Version1.0
Creation Date2026-08-27 18:16:35 UTC
Update Date2026-08-27 18:16:35 UTC
Accession NumberCHEM278643
Identification
Common Name3-bromo-6-fluoro-2-methyl-1-(1h-1,2,4-triazol-5-ylsulfonyl)indole
ClassSmall Molecule
Description
3-bromo-6-fluoro-2-methyl-1-(1h-1,2,4-triazol-5-ylsulfonyl)indole belongs to the indoles, a subclass of indoles and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C11H8BrFN4O2S and an average molecular weight of 359.18 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC11H8BrFN4O2S
Average Molecular MassNot Available
Monoisotopic Mass357.954 g/mol
CAS Registry Number2505298-06-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=C(C2=C(N1S(=O)(=O)C3=NC=NN3)C=C(C=C2)F)Br
InChI IdentifierInChI=1S/C11H8BrFN4O2S/c1-6-10(12)8-3-2-7(13)4-9(8)17(6)20(18,19)11-14-5-15-16-11/h2-5H,1H3,(H,14,15,16)
InChI KeyYLSKZSBQKHXTFP-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
299.0Log mg/kg[170:530]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureCoenzyme A biosynthesis bifunctional protein CoaBCP9WNZ1Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)4.43741
Click to view 3D structureProtein lin-28 homolog AQ8K3Y3Mus musculusPredicted (SEA)61.1116
Prostaglandin D2 receptor 2 structureClick to view 3D structureProstaglandin D2 receptor 2Q9Y5Y4HumansPredicted (SEA)499.481
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)6186.37
Click to view 3D structure2-Hydroxyacid oxidase 2Q9NYQ3HumansPredicted (SEA)97.5451
Click to view 3D structureMannose-6-phosphate isomeraseP34949HumansPredicted (SEA)115.606
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)5942.23
Tryptophan 2,3-dioxygenase structureClick to view 3D structureTryptophan 2,3-dioxygenaseP48775HumansPredicted (SEA)176.095
Click to view 3D structureProstaglandin D2 receptorQ13258HumansPredicted (SEA)1031.5
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)4923.81
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)6596.32
Thromboxane A2 receptor structureClick to view 3D structureThromboxane A2 receptorP21731HumansPredicted (SEA)1272.68
Indoleamine 2,3-dioxygenase 1 structureClick to view 3D structureIndoleamine 2,3-dioxygenase 1P14902HumansPredicted (SEA)949.527
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)6845.75
Click to view 3D structureGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonaseQ9BHT9Plasmodium bergheiPredicted (SEA)823.489
Click to view 3D structurePhosphoethanolamine/phosphocholine phosphataseQ8TCT1HumansPredicted (SEA)84.7
Dual specificity mitogen-activated protein kinase kinase 4 structureClick to view 3D structureDual specificity mitogen-activated protein kinase kinase 4P45985HumansPredicted (SEA)1966.16
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)6224.2
Serine/threonine-protein kinase TBK1 structureClick to view 3D structureSerine/threonine-protein kinase TBK1Q9UHD2HumansPredicted (SEA)4230.09
High affinity nerve growth factor receptor structureClick to view 3D structureHigh affinity nerve growth factor receptorP04629HumansPredicted (SEA)5709.7
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)6182.32
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)4138.46
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)6353.74
Click to view 3D structureProlyl endopeptidase FAPA5D7B7Bos taurusPredicted (SEA)21.0971
Focal adhesion kinase 1 structureClick to view 3D structureFocal adhesion kinase 1Q05397HumansPredicted (SEA)5287.13
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available