Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003471
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article10 (BJ2000)
IUPAC NameN-(3-chlorophenyl)-6-[(2E)-3-methyltriaz-2-en-1-yl]quinazolin-4-amine
FormulaC15H13ClN6
Mass312.757
Exact Mass312.0890222
Composition C (57.6%), H (4.19%), Cl (11.34%), N (26.87%)
Atom Count35
PI10.14
Smilesc1(c2c(ncn1)ccc(N/N=N/C)c2)Nc1cc(Cl)ccc1
InChI1S/C15H13ClN6/c1-17-22-21-12-5-6-14-13(8-12)15(19-9-18-14)20-11-4-2-3-10(16)7-11/h2-9H,1H3,(H,17,21)
(H,18,19,20)
InChIKeyBQYLYGKCCJLIKQ-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
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 9818251
Drug Bank Link -
ChemSpider Link 7994001
ChEMBL Link CHEMBL133024
 
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