Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002409
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article21 compound
IUPAC Name6-(2-phenylethyl)-N-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC21H17F3N4
Mass382.3817
Exact Mass382.1405312
Composition C (65.96%), H (4.48%), F (14.91%), N (14.65%)
Atom Count45
PI10
Smilesn1cnc2c(c1Nc1cc(ccc1)C(F)(F)F)cc([nH]2)CCc1ccccc1
InChI1S/C21H17F3N4/c22-21(23,24)15-7-4-8-16(11-15)27-19-18-12-17(28-20(18)26-13-25-19)10-9-14-5-2-1-3-6-1
4/h1-8,11-13H,9-10H2,(H2,25,26,27,28)
InChIKeyPJUIFTJNPUTTFQ-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 enzymesVEGFR1 | PDGFR beta | VEGFR2 | ALL
Pub Chem Link 46887299
Drug Bank Link -
ChemSpider Link 24671291
ChEMBL Link CHEMBL1097743
 
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