Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000233
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3b compound
IUPAC NameN-{4-[(3-chlorophenyl)amino]quinazolin-7-yl}prop-2-enamide
FormulaC17H13ClN4O
Mass324.764
Exact Mass324.0777888
Composition C (62.87%), H (4.03%), Cl (10.92%), N (17.25%), O (4.93%)
Atom Count36
PI8.78
Smilesc12c(cc(cc1)NC(=O)C=C)ncnc2Nc1cccc(c1)Cl
InChI1S/C17H13ClN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,2
1,23)(H,19,20,22)
InChIKeyULYRDVLBRYCXFF-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
Reference10346932
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 10520057
Drug Bank Link -
ChemSpider Link 8695455
ChEMBL Link CHEMBL52913
 
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