Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003659
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5d compound
IUPAC Name2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}amino)ethan-1-ol
FormulaC15H14BrN5O
Mass360.209
Exact Mass359.0381727
Composition C (50.02%), H (3.92%), Br (22.18%), N (19.44%), O (4.44%)
Atom Count36
PI9.98
Smilesc1(c2c(ncn1)cnc(c2)NCCO)Nc1cc(Br)ccc1
InChI1S/C15H14BrN5O/c16-10-2-1-3-11(6-10)21-15-12-7-14(17-4-5-22)18-8-13(12)19-9-20-15/h1-3,6-9,22H,4-5H2
,(H,17,18)(H,19,20,21)
InChIKeyBSMQFXOOMVGQQY-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 4485515
ChEMBL Link CHEMBL165864
 
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