Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002413
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article23 compound
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC21H16F4N4
Mass400.3722
Exact Mass400.1311094
Composition C (63%), H (4.03%), F (18.98%), N (13.99%)
Atom Count45
PI10
Smilesn1cnc2c(c1Nc1cc(c(cc1)F)C(F)(F)F)cc([nH]2)CCc1ccccc1
InChI1S/C21H16F4N4/c22-18-9-8-15(11-17(18)21(23,24)25)29-20-16-10-14(28-19(16)26-12-27-20)7-6-13-4-2-1-3-
5-13/h1-5,8-12H,6-7H2,(H2,26,27,28,29)
InChIKeyXYZHMUBWCKVNFD-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 enzymesPDGFR beta | VEGFR1 | VEGFR2 | ALL
Pub Chem Link 46887348
Drug Bank Link -
ChemSpider Link 24671727
ChEMBL Link CHEMBL1096415
 
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