Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003022
Inhibitor ClassPyrrolo-pyrimidinone
Molecule Name in Refrence Article26m compound
IUPAC Name(5Z)-4-[(3-chloro-4-fluorophenyl)amino]-5-({4-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
FormulaC24H23ClFN7O2
Mass495.937
Exact Mass495.1585789
Composition C (58.12%), H (4.67%), Cl (7.15%), F (3.83%), N (19.77%), O (6.45%)
Atom Count58
PI8.35
SmilesC1(=Cc2[nH]c(C(=O)N3CCN(CC3)C)c(c2)C)/c2c(NC1=O)ncnc2Nc1cc(c(cc1)F)Cl
InChI1S/C24H23ClFN7O2/c1-13-9-15(29-20(13)24(35)33-7-5-32(2)6-8-33)10-16-19-21(27-12-28-22(19)31-23(16)34
)30-14-3-4-18(26)17(25)11-14/h3-4,9-12,29H,5-8H2,1-2H3,(H2,27,28,30,31,34)/b16-10-
InChIKeyFHYFHSYZOSQOFM-YBEGLDIGSA-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 | VEGFR2/Flk-1/KDR | EGFR | ALL
Pub Chem Link 5329241
Drug Bank Link -
ChemSpider Link 4486392
ChEMBL Link CHEMBL69964
 
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