Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004507
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article42f
IUPAC Name7-[2-chloro-4-({5-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]-2,3-dihydro-1H-isoindol-1-one
FormulaC23H20ClN5O2
Mass433.89
Exact Mass433.1305526
Composition C (63.67%), H (4.65%), Cl (8.17%), N (16.14%), O (7.37%)
Atom Count51
PI9.47
Smilesc1(c2n(ccc2ncn1)CCC)Nc1ccc(c(c1)Cl)Oc1c2C(=O)NCc2ccc1
InChI1S/C23H20ClN5O2/c1-2-9-29-10-8-17-21(29)22(27-13-26-17)28-15-6-7-18(16(24)11-15)31-19-5-3-4-14-12-25
-23(30)20(14)19/h3-8,10-11,13H,2,9,12H2,1H3,(H,25,30)(H,26,27,28)
InChIKeyQGWPDYZDWPRJTO-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
Reference22439974
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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