Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002671
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article7c compound
IUPAC Name4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
FormulaC13H10N6O2
Mass282.2575
Exact Mass282.0865236
Composition C (55.32%), H (3.57%), N (29.77%), O (11.34%)
Atom Count31
PI9.74
Smiles[N+](=O)(c1cc(Nc2c3c(cc(nc3)N)ncn2)ccc1)[O-]
InChI1S/C13H10N6O2/c14-12-5-11-10(6-15-12)13(17-7-16-11)18-8-2-1-3-9(4-8)19(20)21/h1-7H,(H2,14,15)(H,16,1
7,18)
InChIKeyBMZXYZGEVIZRKF-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 5328053
Drug Bank Link -
ChemSpider Link 4485220
ChEMBL Link CHEMBL124673
 
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