Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003159
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article32 compound
IUPAC Name5-phenyl-N-(propan-2-yl)-6-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-amine
FormulaC27H30N4O2
Mass442.5527
Exact Mass442.2368762
Composition C (73.28%), H (6.83%), N (12.66%), O (7.23%)
Atom Count63
PI13.52
Smilesn1cnc2c(c1NC(C)C)c(c(o2)c1ccc(cc1)OCCN1CCCC1)c1ccccc1
InChI1S/C27H30N4O2/c1-19(2)30-26-24-23(20-8-4-3-5-9-20)25(33-27(24)29-18-28-26)21-10-12-22(13-11-21)32-17
-16-31-14-6-7-15-31/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,28,29,30)
InChIKeySSVDSZIWJBBCNN-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
Reference17280833
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesTIE2 | EGFR | Jak3 | IGFR | ZAP70 | Lck | Jak2 | KDR | Ack1 | Src | ALL
Pub Chem Link 11626406
Drug Bank Link -
ChemSpider Link 9801153
ChEMBL Link CHEMBL247866
 
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