Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000606
Inhibitor ClassNaphtho-furo-quinone
Molecule Name in Refrence Article13 compound
IUPAC Namemethyl (2R,11R)-20-{3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy}-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
FormulaC35H31ClN2O6
Mass611.083
Exact Mass610.1870644
Composition C (68.79%), H (5.11%), Cl (5.8%), N (4.58%), O (15.71%)
Atom Count75
PI6.02
Smilesc12c(cccc1)C(=O)[C@H]1[C@H](C2=O)c2c(O1)c1c(c(c2C(=O)OC)OCCCN2CCN(CC2)c2ccccc2Cl)cccc1
InChI1S/C35H31ClN2O6/c1-42-35(41)29-27-28-30(39)21-9-2-3-10-22(21)31(40)34(28)44-33(27)24-12-5-4-11-23(24
)32(29)43-20-8-15-37-16-18-38(19-17-37)26-14-7-6-13-25(26)36/h2-7,9-14,28,34H,8,15-20H2,1H3/t28-,34+
/m0/s1
InChIKeyKADARXCKHGMKPO-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 enzymesFGFR1 | VEGFR2 | PDGFR beta | ALL
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