Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003687
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article9c compound
IUPAC Name6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
FormulaC16H17N5
Mass279.3397
Exact Mass279.1483956
Composition C (68.79%), H (6.13%), N (25.07%)
Atom Count38
PI10.28
Smilesc12c(ncnc2cnc(c1)N(C)C)Nc1cc(ccc1)C
InChI1S/C16H17N5/c1-11-5-4-6-12(7-11)20-16-13-8-15(21(2)3)17-9-14(13)18-10-19-16/h4-10H,1-3H3,(H,18,19,20
)
InChIKeySSOSNGLIBSWZMG-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 4485542
ChEMBL Link CHEMBL163188
 
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