6-[(6,7-Dimethoxyquinazolin-4-yl)oxy]-n,2-dimethyl-1-benzofuran-3-carboxamide (CED0020836)

Record Information
Version1.0
Creation Date2026-04-05 14:00:55 UTC
Update Date2026-08-21 18:18:48 UTC
SynCED IDCED0020836
Secondary Accession Numbers
  • CHEM103529
Identification
Common Name6-[(6,7-Dimethoxyquinazolin-4-yl)oxy]-n,2-dimethyl-1-benzofuran-3-carboxamide
ClassSmall Molecule
Description
6-[(6,7-Dimethoxyquinazolin-4-yl)oxy]-n,2-dimethyl-1-benzofuran-3-carboxamide belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C21H19N3O5 and an average molecular weight of 393.40 g/mol. The compound is recorded as being found in or released from healthcare, pharmaceuticals, and veterinary products, specifically as an antineoplastic agent, with an oral exposure route. It acts as an inhibitor for three protein targets: Vascular endothelial growth factor receptor 1 (FLT1), Vascular endothelial growth factor receptor 2 (KDR), and Vascular endothelial growth factor receptor 3 (FLT4).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H19N3O5
Average Molecular Mass393.399 g/mol
Monoisotopic Mass393.132 g/mol
CAS Registry Number1194506-26-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCNC(=O)C1=C(C)OC2=CC(OC3=NC=NC4=CC(OC)=C(OC)C=C34)=CC=C12
InChI IdentifierInChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)
InChI KeyBALLNEJQLSTPIO-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 Roles
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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0009000000-d0c5fc0aa0fc242b0ff8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0296-0009000000-102f5ebd860a9c951876Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a5j-1709000000-0b4fc4c137a554e725f2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0009000000-00b1d3762d40a0434e84Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-006x-3009000000-6839415bdbaf2a11e515Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0551-0937000000-19a863c0bb66596e99f9Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1289.0 Log mg/kg [730:2300]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 EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000358Antineoplastic agents?Antineoplastic agents are a class of synthetic chemicals used primarily in the treatment of cancer.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.509
Applicability Domain
0.529
Statistical Significance
0.0108
Supporting Reference Compounds
1660
E-value
84.3107
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)
Prediction Confidence Score
0.468
Applicability Domain
0.529
Statistical Significance
0.0084
Supporting Reference Compounds
1017
E-value
65.549
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.456
Applicability Domain
0.516
Statistical Significance
0.0178
Supporting Reference Compounds
1301
E-value
138.649
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)
Prediction Confidence Score
0.44
Applicability Domain
0.529
Statistical Significance
0.0132
Supporting Reference Compounds
996
E-value
102.683
Macrophage colony-stimulating factor 1 receptor structureClick to view 3D structureMacrophage colony-stimulating factor 1 receptorP07333HumansPredicted (SEA)
Prediction Confidence Score
0.435
Applicability Domain
0.516
Statistical Significance
0.011
Supporting Reference Compounds
833
E-value
85.5563
Angiopoietin-1 receptor structureClick to view 3D structureAngiopoietin-1 receptorQ02763HumansPredicted (SEA)
Prediction Confidence Score
0.435
Applicability Domain
0.529
Statistical Significance
0.0054
Supporting Reference Compounds
285
E-value
42.0386
Vascular endothelial growth factor receptor 3 structureClick to view 3D structureVascular endothelial growth factor receptor 3P35916HumansPredicted (SEA)
Prediction Confidence Score
0.421
Applicability Domain
0.472
Statistical Significance
0.0105
Supporting Reference Compounds
687
E-value
81.586
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)
Prediction Confidence Score
0.418
Applicability Domain
0.472
Statistical Significance
0.0178
Supporting Reference Compounds
905
E-value
138.416
Vascular endothelial growth factor receptor 1 structureClick to view 3D structureVascular endothelial growth factor receptor 1P17948HumansKnownNot Available
Vascular endothelial growth factor receptor 1 structureClick to view 3D structureVascular endothelial growth factor receptor 1P17948HumansPredicted (SEA)
Prediction Confidence Score
0.415
Applicability Domain
0.472
Statistical Significance
0.014
Supporting Reference Compounds
711
E-value
108.678
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.406
Applicability Domain
0.464
Statistical Significance
0.0252
Supporting Reference Compounds
1130
E-value
196.414
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)
Prediction Confidence Score
0.404
Applicability Domain
0.425
Statistical Significance
0.0152
Supporting Reference Compounds
597
E-value
118.409
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)
Prediction Confidence Score
0.399
Applicability Domain
0.425
Statistical Significance
0.0304
Supporting Reference Compounds
1274
E-value
236.506
Platelet-derived growth factor receptor alpha structureClick to view 3D structurePlatelet-derived growth factor receptor alphaP16234HumansPredicted (SEA)
Prediction Confidence Score
0.399
Applicability Domain
0.472
Statistical Significance
0.0133
Supporting Reference Compounds
519
E-value
103.773
Tyrosine-protein kinase Lyn structureClick to view 3D structureTyrosine-protein kinase LynP07948HumansPredicted (SEA)
Prediction Confidence Score
0.389
Applicability Domain
0.425
Statistical Significance
0.0206
Supporting Reference Compounds
666
E-value
160.214
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)
Prediction Confidence Score
0.384
Applicability Domain
0.425
Statistical Significance
0.0232
Supporting Reference Compounds
934
E-value
180.844
Serine/threonine-protein kinase B-raf structureClick to view 3D structureSerine/threonine-protein kinase B-rafP15056HumansPredicted (SEA)
Prediction Confidence Score
0.383
Applicability Domain
0.5
Statistical Significance
0.0115
Supporting Reference Compounds
337
E-value
89.9158
Receptor-interacting serine/threonine-protein kinase 2 structureClick to view 3D structureReceptor-interacting serine/threonine-protein kinase 2O43353HumansPredicted (SEA)
Prediction Confidence Score
0.378
Applicability Domain
0.425
Statistical Significance
0.0088
Supporting Reference Compounds
202
E-value
68.5073
Discoidin domain-containing receptor 2 structureClick to view 3D structureDiscoidin domain-containing receptor 2Q16832HumansPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.425
Statistical Significance
0.0082
Supporting Reference Compounds
181
E-value
64.2256
Epithelial discoidin domain-containing receptor 1 structureClick to view 3D structureEpithelial discoidin domain-containing receptor 1Q08345HumansPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.425
Statistical Significance
0.0091
Supporting Reference Compounds
198
E-value
70.7649
Tyrosine-protein kinase ABL1 structureClick to view 3D structureTyrosine-protein kinase ABL1P00519HumansPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.425
Statistical Significance
0.0313
Supporting Reference Compounds
927
E-value
243.746
RAF proto-oncogene serine/threonine-protein kinase structureClick to view 3D structureRAF proto-oncogene serine/threonine-protein kinaseP04049HumansPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.5
Statistical Significance
0.0107
Supporting Reference Compounds
263
E-value
83.6879
Proto-oncogene tyrosine-protein kinase receptor Ret structureClick to view 3D structureProto-oncogene tyrosine-protein kinase receptor RetP07949HumansPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.425
Statistical Significance
0.0294
Supporting Reference Compounds
764
E-value
228.643
Fibroblast growth factor receptor 2 structureClick to view 3D structureFibroblast growth factor receptor 2P21802HumansPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.39
Statistical Significance
0.0143
Supporting Reference Compounds
242
E-value
111.636
ALK tyrosine kinase receptor structureClick to view 3D structureALK tyrosine kinase receptorQ9UM73HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.425
Statistical Significance
0.0315
Supporting Reference Compounds
708
E-value
245.536
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.425
Statistical Significance
0.0472
Supporting Reference Compounds
1022
E-value
367.526
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available