Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000607
Inhibitor ClassNaphtho-furo-quinone
Molecule Name in Refrence Article14 compound
IUPAC Namemethyl (2R,11R)-3,10-dioxo-20-[2-(4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)ethoxy]-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
FormulaC36H31F3N2O6
Mass644.6363
Exact Mass644.2134213
Composition C (67.07%), H (4.85%), F (8.84%), N (4.35%), O (14.89%)
Atom Count78
PI6.64
Smilesc12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)OCCN2CCN(CC2)Cc2ccc(cc2)C(F)(F)F)cccc1
InChI1S/C36H31F3N2O6/c1-45-35(44)29-27-28-30(42)23-6-2-3-7-24(23)31(43)34(28)47-33(27)26-9-5-4-8-25(26)32
(29)46-19-18-40-14-16-41(17-15-40)20-21-10-12-22(13-11-21)36(37,38)39/h2-13,28,34H,14-20H2,1H3/t28-,
34+/m0/s1
InChIKeyCJGQIWGWWGCTNP-IPZQJPLYSA-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 enzymesVEGFR2 | FGFR1 | PDGFR beta | ALL
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