Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003452
Inhibitor ClassIndolylmaleimide
Molecule Name in Refrence Article11 (Br-Maleimide)
IUPAC Name3-(5-bromo-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
FormulaC21H17BrN2O5
Mass457.274
Exact Mass456.0320843
Composition C (55.16%), H (3.75%), Br (17.47%), N (6.13%), O (17.49%)
Atom Count46
PI2.56
Smilesc1(ccc2c(c1)c(c[nH]2)C1=C(C(=O)NC1=O)c1cc(c(c(c1)OC)OC)OC)Br
InChI1S/C21H17BrN2O5/c1-27-15-6-10(7-16(28-2)19(15)29-3)17-18(21(26)24-20(17)25)13-9-23-14-5-4-11(22)8-12
(13)14/h4-9,23H,1-3H3,(H,24,25,26)
InChIKeyAQXIMVWUURMKKC-UHFFFAOYSA-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
Reference20031417
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesIGF1R | KIT | PDGFR beta | PDGFR alpha | TIE2 | VEGFR1 | VEGFR2 | VEGFR3 | ALL
Pub Chem Link 46231221
Drug Bank Link -
ChemSpider Link 24653857
ChEMBL Link CHEMBL605957
 
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