Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000246
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6e compound
IUPAC NameN-{4-[(3-bromo-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}prop-2-enamide
FormulaC16H11BrFN5O
Mass388.194
Exact Mass387.0131009
Composition C (49.5%), H (2.86%), Br (20.58%), F (4.89%), N (18.04%), O (4.12%)
Atom Count35
PI8.45
Smilesc12c(cnc(c1)NC(=O)C=C)ncnc2Nc1ccc(c(c1)Br)F
InChI1S/C16H11BrFN5O/c1-2-15(24)23-14-6-10-13(7-19-14)20-8-21-16(10)22-9-3-4-12(18)11(17)5-9/h2-8H,1H2,(H
,19,23,24)(H,20,21,22)
InChIKeyHIONRJFCDLKILS-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 10691652
Drug Bank Link -
ChemSpider Link 8866997
ChEMBL Link CHEMBL54091
 
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