Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000610
Inhibitor ClassNaphtho-furo-quinone
Molecule Name in Refrence Article17 compound
IUPAC Namemethyl (2R,11R)-20-{[4-(butoxycarbonyl)phenyl]methoxy}-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
FormulaC34H28O8
Mass564.5813
Exact Mass564.1784179
Composition C (72.33%), H (5%), O (22.67%)
Atom Count70
PI0.51
Smilesc12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)OCc2ccc(cc2)C(=O)OCCCC)cccc1
InChI1S/C34H28O8/c1-3-4-17-40-33(37)20-15-13-19(14-16-20)18-41-30-23-11-7-8-12-24(23)31-25(27(30)34(38)39
-2)26-28(35)21-9-5-6-10-22(21)29(36)32(26)42-31/h5-16,26,32H,3-4,17-18H2,1-2H3/t26-,32+/m0/s1
InChIKeyKVYTYSICXKSISJ-XYFQYJLHSA-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 | VEGFR2 | PDGFR beta | ALL
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