Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000673
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article7f compound
IUPAC Name4-N-(3-bromophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
FormulaC13H10BrN5
Mass316.156
Exact Mass315.011958
Composition C (49.39%), H (3.19%), Br (25.27%), N (22.15%)
Atom Count29
PI10.14
Smilesc12c(cc(nc1)N)ncnc2Nc1cccc(c1)Br
InChI1S/C13H10BrN5/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19)
InChIKeySFUYILVZGXHCDG-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
Reference7562908 | 8627606 | 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 382059
Drug Bank Link -
ChemSpider Link 338501
ChEMBL Link CHEMBL52076
 
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