Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003680
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5y compound
IUPAC Name2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}(methyl)amino)acetic acid
FormulaC16H14BrN5O2
Mass388.219
Exact Mass387.0330874
Composition C (49.5%), H (3.63%), Br (20.58%), N (18.04%), O (8.24%)
Atom Count38
PI4.47
Smilesc12c(ncnc2cnc(c1)N(CC(=O)O)C)Nc1cc(Br)ccc1
InChI1S/C16H14BrN5O2/c1-22(8-15(23)24)14-6-12-13(7-18-14)19-9-20-16(12)21-11-4-2-3-10(17)5-11/h2-7,9H,8H2
,1H3,(H,23,24)(H,19,20,21)
InChIKeyUFGHDYZMVXQBKH-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
Reference9513602
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485536
ChEMBL Link CHEMBL351629
 
TOP