Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004099
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article17 compound
IUPAC NameN-(3-chlorophenyl)-6-[(1E)-3-[2-(dimethylamino)ethyl]triaz-1-en-1-yl]quinazolin-4-amine
FormulaC18H20ClN7
Mass369.851
Exact Mass369.1468714
Composition C (58.45%), H (5.45%), Cl (9.59%), N (26.51%)
Atom Count46
PI11.85
SmilesN(CCN/N=N/c1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)(C)C
InChI1S/C18H20ClN7/c1-26(2)9-8-22-25-24-15-6-7-17-16(11-15)18(21-12-20-17)23-14-5-3-4-13(19)10-14/h3-7,10
-12H,8-9H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyGOVBHWZRXMKGIA-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
Reference17472358
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 11326156
Drug Bank Link -
ChemSpider Link 9501108
ChEMBL Link CHEMBL225720
 
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