Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003679
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5x compound
IUPAC Name2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}amino)acetic acid
FormulaC15H12BrN5O2
Mass374.192
Exact Mass373.0174373
Composition C (48.15%), H (3.23%), Br (21.35%), N (18.72%), O (8.55%)
Atom Count35
PI4.49
Smilesc1(c2c(ncn1)cnc(c2)NCC(=O)O)Nc1cc(Br)ccc1
InChI1S/C15H12BrN5O2/c16-9-2-1-3-10(4-9)21-15-11-5-13(18-7-14(22)23)17-6-12(11)19-8-20-15/h1-6,8H,7H2,(H,
17,18)(H,22,23)(H,19,20,21)
InChIKeyIGLQVXWYTLQQLP-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485535
ChEMBL Link CHEMBL355816
 
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