Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003658
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5c compound
IUPAC Name4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
FormulaC15H14BrN5
Mass344.209
Exact Mass343.0432581
Composition C (52.34%), H (4.1%), Br (23.21%), N (20.35%)
Atom Count35
PI10.05
Smilesc12c(ncnc2cnc(c1)N(C)C)Nc1cc(Br)ccc1
InChI1S/C15H14BrN5/c1-21(2)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,18,19,2
0)
InChIKeyQFXMHNZCUIIRHD-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
Reference9513602
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 -
Drug Bank Link -
ChemSpider Link 4485426
ChEMBL Link CHEMBL53711
 
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