Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002405
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article19 compound
IUPAC NameN-(3-bromophenyl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC20H17BrN4
Mass393.28
Exact Mass392.0636592
Composition C (61.08%), H (4.36%), Br (20.32%), N (14.25%)
Atom Count42
PI10
Smilesn1cnc2c(c1Nc1cc(ccc1)Br)cc([nH]2)CCc1ccccc1
InChI1S/C20H17BrN4/c21-15-7-4-8-16(11-15)24-19-18-12-17(25-20(18)23-13-22-19)10-9-14-5-2-1-3-6-14/h1-8,11
-13H,9-10H2,(H2,22,23,24,25)
InChIKeyFDPFCUXBRNWFJA-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
Reference20403693
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesVEGFR2 | VEGFR1 | PDGFR beta | ALL
Pub Chem Link 46887255
Drug Bank Link -
ChemSpider Link 24668203
ChEMBL Link CHEMBL1094423
 
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