Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003817
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article1 compound
IUPAC Name2-({6-[(3-methylphenyl)amino]pyrimidin-4-yl}amino)ethan-1-ol
FormulaC13H16N4O
Mass244.2923
Exact Mass244.1324112
Composition C (63.91%), H (6.6%), N (22.93%), O (6.55%)
Atom Count34
PI10.76
Smilesc1(ncnc(c1)NCCO)Nc1cc(ccc1)C
InChI1S/C13H16N4O/c1-10-3-2-4-11(7-10)17-13-8-12(14-5-6-18)15-9-16-13/h2-4,7-9,18H,5-6H2,1H3,(H2,14,15,16
,17)
InChIKeyJUAWTNMXJGPKET-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
Reference10639288
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 5328382
Drug Bank Link -
ChemSpider Link 4485547
ChEMBL Link CHEMBL415738
 
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