Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003414
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article11 compound
IUPAC Name4-N-(3-chlorophenyl)-6-N-methylquinazoline-4,6-diamine
FormulaC15H13ClN4
Mass284.744
Exact Mass284.0828741
Composition C (63.27%), H (4.6%), Cl (12.45%), N (19.68%)
Atom Count33
PI10.49
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)NC
InChI1S/C15H13ClN4/c1-17-11-5-6-14-13(8-11)15(19-9-18-14)20-12-4-2-3-10(16)7-12/h2-9,17H,1H3,(H,18,19,20)
InChIKeySFZSLQNVKFDVLY-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
Reference16759097
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 11558284
Drug Bank Link -
ChemSpider Link 9733058
ChEMBL Link CHEMBL209343
 
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