Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004232
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article3ee compound
IUPAC Name2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)ethane-1-sulfonic acid
FormulaC15H14BrN5O3S
Mass424.272
Exact Mass423.0000727
Composition C (42.46%), H (3.33%), Br (18.83%), N (16.51%), O (11.31%), S (7.56%)
Atom Count39
PI4.52
Smilesn1cnc(c2c1cc(nc2)NCCS(=O)(=O)O)Nc1cc(ccc1)Br
InChI1S/C15H14BrN5O3S/c16-10-2-1-3-11(6-10)21-15-12-8-18-14(7-13(12)19-9-20-15)17-4-5-25(22,23)24/h1-3,6-
9H,4-5H2,(H,17,18)(H,19,20,21)(H,22,23,24)
InChIKeyKFKHOLUDECOBTE-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
Reference9397172
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 4485490
ChEMBL Link CHEMBL128467
 
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