Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002683
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article7o compound
IUPAC Name4-N-(3-aminophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
FormulaC13H12N6
Mass252.2746
Exact Mass252.1123444
Composition C (61.89%), H (4.79%), N (33.31%)
Atom Count31
PI10.45
Smilesc1(c2c(cc(nc2)N)ncn1)Nc1cc(N)ccc1
InChI1S/C13H12N6/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13/h1-7H,14H2,(H2,15,16)(H,17,18,1
9)
InChIKeyLLVSJVCHNFCBSQ-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328064
Drug Bank Link -
ChemSpider Link 4485231
ChEMBL Link CHEMBL124617
 
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