Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000670
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article8a compound
IUPAC Name4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
FormulaC14H13N5
Mass251.2865
Exact Mass251.1170954
Composition C (66.92%), H (5.21%), N (27.87%)
Atom Count32
PI11.62
Smilesc12c(cc(nc1)N)ncnc2NCc1ccccc1
InChI1S/C14H13N5/c15-13-6-12-11(8-16-13)14(19-9-18-12)17-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H2,15,16)(H,17,
18,19)
InChIKeyJBRBEQRTMVYDCU-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 |
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 5328077
Drug Bank Link -
ChemSpider Link 4485244
ChEMBL Link CHEMBL300083
 
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