Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001556
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article22 compound
IUPAC NameN-(3-bromophenyl)-1H-pyrrolo[2,3-f]quinazolin-9-amine
FormulaC16H11BrN4
Mass339.189
Exact Mass338.016709
Composition C (56.66%), H (3.27%), Br (23.56%), N (16.52%)
Atom Count32
PI9.23
Smilesc12c(ccc3c1[nH]cc3)ncnc2Nc1cccc(c1)Br
InChI1S/C16H11BrN4/c17-11-2-1-3-12(8-11)21-16-14-13(19-9-20-16)5-4-10-6-7-18-15(10)14/h1-9,18H,(H,19,20,2
1)
InChIKeyDRORNTZBMUKMSZ-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference8632415 | 10639288 |
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328244
Drug Bank Link -
ChemSpider Link 4485409
ChEMBL Link CHEMBL153525
 
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