Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003025
Inhibitor ClassPyrrolo-pyrimidinone
Molecule Name in Refrence Article26p compound
IUPAC Name5-{[(5Z)-4-[(3-chloro-4-fluorophenyl)amino]-6-oxo-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl}-N-[2-(diethylamino)ethyl]-4-methyl-1H-pyrrole-2-carboxamide
FormulaC25H27ClFN7O2
Mass511.979
Exact Mass511.1898791
Composition C (58.65%), H (5.32%), Cl (6.92%), F (3.71%), N (19.15%), O (6.25%)
Atom Count63
PI9.39
SmilesC1(=Cc2[nH]c(cc2C)C(=O)NCCN(CC)CC)/c2c(NC1=O)ncnc2Nc1cc(c(cc1)F)Cl
InChI1S/C25H27ClFN7O2/c1-4-34(5-2)9-8-28-25(36)20-10-14(3)19(32-20)12-16-21-22(29-13-30-23(21)33-24(16)35
)31-15-6-7-18(27)17(26)11-15/h6-7,10-13,32H,4-5,8-9H2,1-3H3,(H,28,36)(H2,29,30,31,33,35)/b16-12-
InChIKeySXQLWNOERMLQGM-VBKFSLOCSA-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 5329244
Drug Bank Link -
ChemSpider Link 4486395
ChEMBL Link CHEMBL69358
 
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