Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001142
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article9 compound
IUPAC Name1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)
FormulaC26H27Cl2N5O2
Mass512.431
Exact Mass511.1541805
Composition C (60.94%), H (5.31%), Cl (13.84%), N (13.67%), O (6.24%)
Atom Count62
PI11.55
Smilesc12c(nc(nc1)Nc1ccc(cc1)OCCN(CC)CC)n(c(=O)c(c2)c1c(cccc1Cl)Cl)C
InChI1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-2
6)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)
InChIKeyIFPPYSWJNWHOLQ-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
Reference9599227 | 9703473 | 15780636 |
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesFGFr | FGFr | PDGFr | ALL
Pub Chem Link 5311382
Drug Bank Link -
ChemSpider Link 4470875
ChEMBL Link CHEMBL49120
 
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