Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000611
Inhibitor ClassNaphtho-furo-quinone
Molecule Name in Refrence Article18 compound
IUPAC Namemethyl (2R,11R)-3,10-dioxo-20-(pyridin-4-ylmethoxy)-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
FormulaC28H19NO6
Mass465.4536
Exact Mass465.1212373
Composition C (72.25%), H (4.11%), N (3.01%), O (20.62%)
Atom Count54
PI5.24
Smilesc12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)OCc2ccncc2)cccc1
InChI1S/C28H19NO6/c1-33-28(32)22-20-21-23(30)16-6-2-3-7-17(16)24(31)27(21)35-26(20)19-9-5-4-8-18(19)25(22
)34-14-15-10-12-29-13-11-15/h2-13,21,27H,14H2,1H3/t21-,27+/m0/s1
InChIKeyJVGJWHHTSPNYFY-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
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Reported activity against other enzymesFGFR1 | PDGFR beta | VEGFR2 | ALL
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