Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001003
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article37 compound
IUPAC NameN-(3-bromophenyl)-5H,6H,7H,8H,9H-pyrimido[4,5-b]indol-4-amine
FormulaC16H15BrN4
Mass343.221
Exact Mass342.0480091
Composition C (55.99%), H (4.41%), Br (23.28%), N (16.32%)
Atom Count36
PI10.29
Smilesn1cnc2c(c1Nc1cc(ccc1)Br)c1c([nH]2)CCCC1
InChI1S/C16H15BrN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2
,(H2,18,19,20,21)
InChIKeyIVQMCCDVGIYFDZ-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
Reference8691423
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesc-Src | PKC alpha | v-Abl | ALL
Pub Chem Link 10569366
Drug Bank Link -
ChemSpider Link 8744753
ChEMBL Link CHEMBL72393
 
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