Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001009
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article43 compound
IUPAC NameN-(4-ethylphenyl)-5H,6H,7H,8H,9H-pyrimido[4,5-b]indol-4-amine
FormulaC18H20N4
Mass292.3782
Exact Mass292.1687967
Composition C (73.94%), H (6.89%), N (19.16%)
Atom Count42
PI10.31
Smilesn1cnc2c(c1Nc1ccc(cc1)CC)c1c([nH]2)CCCC1
InChI1S/C18H20N4/c1-2-12-7-9-13(10-8-12)21-17-16-14-5-3-4-6-15(14)22-18(16)20-11-19-17/h7-11H,2-6H2,1H3,(
H2,19,20,21,22)
InChIKeyYHOGIJXDPLRSLI-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
Reference8691423
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 44313484
Drug Bank Link -
ChemSpider Link 23165381
ChEMBL Link CHEMBL72984
 
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