Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003258
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article1q compound
IUPAC Name2-{[(3-{4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl}phenyl)methyl]amino}ethan-1-ol
FormulaC21H21N5O
Mass359.4243
Exact Mass359.1746103
Composition C (70.17%), H (5.89%), N (19.48%), O (4.45%)
Atom Count48
PI12.47
Smilesn1cnc2c(c1N)c(cn2c1cccc(c1)CNCCO)c1ccccc1
InChI1S/C21H21N5O/c22-20-19-18(16-6-2-1-3-7-16)13-26(21(19)25-14-24-20)17-8-4-5-15(11-17)12-23-9-10-27/h1
-8,11,13-14,23,27H,9-10,12H2,(H2,22,24,25)
InChIKeyMDPXBTVEVMPBMF-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
Reference10853665 | 10853665 |
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesCDC2 | c-Src | Kdr | ALL
Pub Chem Link 10451087
Drug Bank Link -
ChemSpider Link 8626504
ChEMBL Link CHEMBL176702
 
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