Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000601
Inhibitor ClassNaphtho-furo-quinone
Molecule Name in Refrence Article8 compound
IUPAC Namemethyl (2R,11R)-20-[2-(diethylamino)ethoxy]-3,10-dioxo-12-oxapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{14,19}]henicosa-1(13),4,6,8,14(19),15,17,20-octaene-21-carboxylate
FormulaC28H27NO6
Mass473.5171
Exact Mass473.1838376
Composition C (71.02%), H (5.75%), N (2.96%), O (20.27%)
Atom Count62
PI6.69
Smilesc12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)OCCN(CC)CC)cccc1
InChI1S/C28H27NO6/c1-4-29(5-2)14-15-34-25-18-12-8-9-13-19(18)26-20(22(25)28(32)33-3)21-23(30)16-10-6-7-11
-17(16)24(31)27(21)35-26/h6-13,21,27H,4-5,14-15H2,1-3H3/t21-,27+/m0/s1
InChIKeyZCAIYGGANJEFHB-KDYSTLNUSA-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
Reference16321529
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesVEGFR2 | PDGFR beta | FGFR1 | VEGFR2 | FGFR1 | PDGFR beta | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL202162
 
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