Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000676
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5f compound
IUPAC Name4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
FormulaC14H12BrN5
Mass330.183
Exact Mass329.0276081
Composition C (50.93%), H (3.66%), Br (24.2%), N (21.21%)
Atom Count32
PI10.07
Smilesc12c(cc(nc1)NC)ncnc2Nc1cccc(c1)Br
InChI1S/C14H12BrN5/c1-16-13-6-12-11(7-17-13)14(19-8-18-12)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,
19,20)
InChIKeySOVBDLAXFPZPCR-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
Reference8627606 | 9397172 |
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 5328252
Drug Bank Link -
ChemSpider Link 4485417
ChEMBL Link CHEMBL54400
 
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