Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002699
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article8d compound
IUPAC Name4-N-[(4-nitrophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
FormulaC14H12N6O2
Mass296.2841
Exact Mass296.1021737
Composition C (56.75%), H (4.08%), N (28.36%), O (10.8%)
Atom Count34
PI11.62
Smiles[N+](=O)(c1ccc(CNc2c3c(cc(nc3)N)ncn2)cc1)[O-]
InChI1S/C14H12N6O2/c15-13-5-12-11(7-16-13)14(19-8-18-12)17-6-9-1-3-10(4-2-9)20(21)22/h1-5,7-8H,6H2,(H2,15
,16)(H,17,18,19)
InChIKeyWHFXKHSZKZPINP-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
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328080
Drug Bank Link -
ChemSpider Link 4485247
ChEMBL Link CHEMBL126097
 
TOP