Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000947
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article27 compound
IUPAC Name4-N-benzylquinazoline-4,5-diamine
FormulaC15H14N4
Mass250.2985
Exact Mass250.1218465
Composition C (71.98%), H (5.64%), N (22.38%)
Atom Count33
PI12.17
Smilesc12c(cccc1N)ncnc2NCc1ccccc1
InChI1S/C15H14N4/c16-12-7-4-8-13-14(12)15(19-10-18-13)17-9-11-5-2-1-3-6-11/h1-8,10H,9,16H2,(H,17,18,19)
InChIKeyMBUYMCKMFDNNPH-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
Reference7658435
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 5328025
Drug Bank Link -
ChemSpider Link 4485192
ChEMBL Link CHEMBL119432
 
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