Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003573
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article4a compound
IUPAC Name1-{2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl}-3-tert-butylurea
FormulaC18H20N6O
Mass336.391
Exact Mass336.1698593
Composition C (64.27%), H (5.99%), N (24.98%), O (4.76%)
Atom Count45
PI7.98
Smilesc1(nc2nc(ncc2cc1c1ccccc1)N)NC(=O)NC(C)(C)C
InChI1S/C18H20N6O/c1-18(2,3)24-17(25)23-15-13(11-7-5-4-6-8-11)9-12-10-20-16(19)22-14(12)21-15/h4-10H,1-3H
3,(H4,19,20,21,22,23,24,25)
InChIKeyYJOFXQWQYIOWNT-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
Reference9240345
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesc-Src | InsRT | FGFr | PDGFr | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4486273
ChEMBL Link CHEMBL76599
 
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