Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003033
Inhibitor ClassPyrrolo-pyrimidinone
Molecule Name in Refrence Article28d compound
IUPAC Name5-{[(5Z)-4-[(1-benzyl-1H-indol-5-yl)amino]-6-oxo-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl}-4-methyl-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
FormulaC34H34N8O3
Mass602.6856
Exact Mass602.275387
Composition C (67.76%), H (5.69%), N (18.59%), O (7.96%)
Atom Count79
PI7.92
SmilesC1(=Cc2[nH]c(cc2C)C(=O)NCCN2CCOCC2)/c2c(NC1=O)ncnc2Nc1cc2c(n(cc2)Cc2ccccc2)cc1
InChI1S/C34H34N8O3/c1-22-17-28(34(44)35-10-12-41-13-15-45-16-14-41)39-27(22)19-26-30-31(36-21-37-32(30)40
-33(26)43)38-25-7-8-29-24(18-25)9-11-42(29)20-23-5-3-2-4-6-23/h2-9,11,17-19,21,39H,10,12-16,20H2,1H3
,(H,35,44)(H2,36,37,38,40,43)/b26-19-
InChIKeyJHZHWAOFJSCIEJ-XHPQRKPJSA-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
Reference12127526
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesPDGFR | EGFR | VEGFR2/Flk-1/KDR | ALL
Pub Chem Link 5329252
Drug Bank Link -
ChemSpider Link 4486403
ChEMBL Link CHEMBL264382
 
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