Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001004
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article38 compound
IUPAC Name3-({5H,6H,7H,8H,9H-pyrimido[4,5-b]indol-4-yl}amino)phenol
FormulaC16H16N4O
Mass280.3244
Exact Mass280.1324112
Composition C (68.55%), H (5.75%), N (19.99%), O (5.71%)
Atom Count37
PI7.89
Smilesn1cnc2c(c1Nc1cc(ccc1)O)c1c([nH]2)CCCC1
InChI1S/C16H16N4O/c21-11-5-3-4-10(8-11)19-15-14-12-6-1-2-7-13(12)20-16(14)18-9-17-15/h3-5,8-9,21H,1-2,6-7
H2,(H2,17,18,19,20)
InChIKeyURHWRBQIYOUYPM-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 10564707
Drug Bank Link -
ChemSpider Link 8740095
ChEMBL Link CHEMBL72322
 
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