Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004509
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article42d
IUPAC Name6-(2-chloro-4-{[5-(2-hydroxyethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino}phenoxy)-2,3-dihydro-1H-indol-2-one
FormulaC22H18ClN5O3
Mass435.863
Exact Mass435.1098172
Composition C (60.62%), H (4.16%), Cl (8.13%), N (16.07%), O (11.01%)
Atom Count49
PI9.3
Smilesc1(c2n(ccc2ncn1)CCO)Nc1ccc(c(c1)Cl)Oc1cc2NC(=O)Cc2cc1
InChI1S/C22H18ClN5O3/c23-16-10-14(26-22-21-17(24-12-25-22)5-6-28(21)7-8-29)2-4-19(16)31-15-3-1-13-9-20(30
)27-18(13)11-15/h1-6,10-12,29H,7-9H2,(H,27,30)(H,24,25,26)
InChIKeyIKXDZCIRCQRTQF-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
Pub Chem Link 57415417
Drug Bank Link -
ChemSpider Link 28505091
ChEMBL Link -
 
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