Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003015
Inhibitor ClassPyrrolo-pyrimidinone
Molecule Name in Refrence Article26f compound
IUPAC Name5-{[(5Z)-4-[(3-chloro-4-fluorophenyl)amino]-6-oxo-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl}-4-methyl-1H-pyrrole-2-carboxylic acid
FormulaC19H13ClFN5O3
Mass413.79
Exact Mass413.0690952
Composition C (55.15%), H (3.17%), Cl (8.57%), F (4.59%), N (16.92%), O (11.6%)
Atom Count42
PI3.3
SmilesC1(=Cc2[nH]c(cc2C)C(=O)O)/c2c(NC1=O)ncnc2Nc1cc(c(cc1)F)Cl
InChI1S/C19H13ClFN5O3/c1-8-4-14(19(28)29)25-13(8)6-10-15-16(22-7-23-17(15)26-18(10)27)24-9-2-3-12(21)11(2
0)5-9/h2-7,25H,1H3,(H,28,29)(H2,22,23,24,26,27)/b10-6-
InChIKeyQQRLVNGJKMMEMW-POHAHGRESA-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 5329234
Drug Bank Link -
ChemSpider Link 4486385
ChEMBL Link CHEMBL305194
 
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