Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002417
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article25 compound
IUPAC NameN-[6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-indol-5-amine
FormulaC22H19N5
Mass353.4198
Exact Mass353.1640456
Composition C (74.77%), H (5.42%), N (19.82%)
Atom Count46
PI10
Smilesn1cnc2c(c1Nc1cc3c(cc1)[nH]cc3)cc([nH]2)CCc1ccccc1
InChI1S/C22H19N5/c1-2-4-15(5-3-1)6-7-18-13-19-21(24-14-25-22(19)27-18)26-17-8-9-20-16(12-17)10-11-23-20/h
1-5,8-14,23H,6-7H2,(H2,24,25,26,27)
InChIKeyPWLPHODRHOUKAZ-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 46887397
Drug Bank Link -
ChemSpider Link 24678852
ChEMBL Link CHEMBL1097368
 
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