Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000904
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article15 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}buta-2,3-dienamide
FormulaC18H13BrN4O
Mass381.226
Exact Mass380.0272737
Composition C (56.71%), H (3.44%), Br (20.96%), N (14.7%), O (4.2%)
Atom Count37
PI8.85
Smilesn1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)NC(=O)C=C=C
InChI1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3-11H,1H2,(
H,22,24)(H,20,21,23)
InChIKeyAWZOTLBLGSFFML-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
Reference11462982
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 5329076
Drug Bank Link -
ChemSpider Link 4486238
ChEMBL Link CHEMBL343722
 
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