Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004216
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article3o compound
IUPAC Name4-N-(3-bromophenyl)-7-N-[5-(dimethylamino)pentyl]pyrido[4,3-d]pyrimidine-4,7-diamine
FormulaC20H25BrN6
Mass429.357
Exact Mass428.1324075
Composition C (55.95%), H (5.87%), Br (18.61%), N (19.57%)
Atom Count52
PI12.45
Smilesn1cnc(c2c1cc(nc2)NCCCCCN(C)C)Nc1cc(ccc1)Br
InChI1S/C20H25BrN6/c1-27(2)10-5-3-4-9-22-19-12-18-17(13-23-19)20(25-14-24-18)26-16-8-6-7-15(21)11-16/h6-8
,11-14H,3-5,9-10H2,1-2H3,(H,22,23)(H,24,25,26)
InChIKeyQAUQFKRIRRUBIU-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
Reference9397172
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 -
Drug Bank Link -
ChemSpider Link 4485474
ChEMBL Link CHEMBL129824
 
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