Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000596
Inhibitor ClassNaphtho-furo-quinone
Molecule Name in Refrence Article3 compound
IUPAC Namemethyl (2R,11R)-20-hydroxy-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
FormulaC22H14O6
Mass374.343
Exact Mass374.0790382
Composition C (70.59%), H (3.77%), O (25.64%)
Atom Count42
PI0.46
Smilesc12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)O)cccc1
InChI1S/C22H14O6/c1-27-22(26)16-14-15-17(23)10-6-2-3-7-11(10)19(25)21(15)28-20(14)13-9-5-4-8-12(13)18(16)
24/h2-9,15,21,24H,1H3/t15-,21+/m0/s1
InChIKeyYTRFQLNEBQUBAB-YCRPNKLZSA-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 enzymesPDGFR beta | FGFR1 | VEGFR2 | ALL
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