Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002422
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article7 compound
IUPAC Name4-N-(3-bromophenyl)-6-[(2,4-dichlorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
FormulaC19H14BrCl2N5
Mass463.158
Exact Mass460.9809635
Composition C (49.27%), H (3.05%), Br (17.25%), Cl (15.31%), N (15.12%)
Atom Count41
PI10.23
Smilesn1c(nc2c(c1Nc1cccc(c1)Br)cc([nH]2)Cc1ccc(cc1Cl)Cl)N
InChI1S/C19H14BrCl2N5/c20-11-2-1-3-13(7-11)24-17-15-9-14(25-18(15)27-19(23)26-17)6-10-4-5-12(21)8-16(10)2
2/h1-5,7-9H,6H2,(H4,23,24,25,26,27)
InChIKeyKKIBGZAKMLYCDQ-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
Reference20403700
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesVEGFR1 | PDGFR beta | VEGFR2 | ALL
Pub Chem Link 3008956
Drug Bank Link -
ChemSpider Link 2278381
ChEMBL Link CHEMBL1095761
 
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