Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004892
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article29
IUPAC NameN-{2-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-[(1H-indol-2-yl)carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC28H19ClFN5O2
Mass511.934
Exact Mass511.1211308
Composition C (65.69%), H (3.74%), Cl (6.93%), F (3.71%), N (13.68%), O (6.25%)
Atom Count56
PI7.5
SmilesFc1cccc(COc2cc(Cl)c(Nc3c4cc([nH]c4ncn3)C(=O)c3cc4ccccc4[nH]3)cc2)c1
InChI1S/C28H19ClFN5O2/c29-21-12-19(37-14-16-4-3-6-18(30)10-16)8-9-23(21)34-27-20-13-25(35-28(20)32-15-31-
27)26(36)24-11-17-5-1-2-7-22(17)33-24/h1-13,15,33H,14H2,(H2,31,32,34,35)
InChIKeyDJGFXKQXYXBLCL-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
Reference22169601
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesVEGFR2 |
Pub Chem Link 57402378
Drug Bank Link -
ChemSpider Link 28431604
ChEMBL Link CHEMBL1928300
 
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