Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000235
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article4a compound
IUPAC NameN-{4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}prop-2-enamide
FormulaC16H12BrN5O
Mass370.203
Exact Mass369.0225227
Composition C (51.91%), H (3.27%), Br (21.58%), N (18.92%), O (4.32%)
Atom Count35
PI8.4
Smilesc12c(cc(nc1)NC(=O)C=C)ncnc2Nc1cccc(c1)Br
InChI1S/C16H12BrN5O/c1-2-15(23)22-14-7-13-12(8-18-14)16(20-9-19-13)21-11-5-3-4-10(17)6-11/h2-9H,1H2,(H,18
,22,23)(H,19,20,21)
InChIKeyLBTKBOXSMBAAAQ-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 10832923
Drug Bank Link -
ChemSpider Link 9008223
ChEMBL Link CHEMBL49986
 
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