Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003842
Inhibitor ClassPyrimido-indole
Molecule Name in Refrence Article47 compound
IUPAC NameN-(3-bromophenyl)-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
FormulaC17H13BrN4
Mass353.216
Exact Mass352.0323591
Composition C (57.81%), H (3.71%), Br (22.62%), N (15.86%)
Atom Count35
PI9.12
Smilesc12c(c(nc(n2)C)Nc2cc(Br)ccc2)c2c([nH]1)cccc2
InChI1S/C17H13BrN4/c1-10-19-16(21-12-6-4-5-11(18)9-12)15-13-7-2-3-8-14(13)22-17(15)20-10/h2-9H,1H3,(H2,19
,20,21,22)
InChIKeySHXYXRGXKBHEBR-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
Reference10639288
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 5328395
Drug Bank Link -
ChemSpider Link 4485560
ChEMBL Link CHEMBL1195996
 
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