Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003410
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5 compound
IUPAC Name4-N-(3-methylphenyl)quinazoline-4,6-diamine
FormulaC15H14N4
Mass250.2985
Exact Mass250.1218465
Composition C (71.98%), H (5.64%), N (22.38%)
Atom Count33
PI10.78
Smilesc1(c2c(ncn1)ccc(c2)N)Nc1cc(ccc1)C
InChI1S/C15H14N4/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,16H2,1H3,(H,17,18,19)
InChIKeyNFBCSWGEYDCCDW-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
Reference13678409 | 16759097 |
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 10220590
Drug Bank Link -
ChemSpider Link 8396082
ChEMBL Link CHEMBL336113
 
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