Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003451
Inhibitor ClassIndolylmaleimide
Molecule Name in Refrence Article10 (I-Maleimide)
IUPAC Name3-(5-iodo-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
FormulaC21H17IN2O5
Mass504.2746
Exact Mass504.0182151
Composition C (50.02%), H (3.4%), I (25.17%), N (5.56%), O (15.86%)
Atom Count46
PI2.56
Smilesc1(ccc2c(c1)c(c[nH]2)C1=C(C(=O)NC1=O)c1cc(c(c(c1)OC)OC)OC)I
InChI1S/C21H17IN2O5/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)
InChIKeyKRICMVKKVCDVBV-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
Find Similar Compounds
                                   

Reported activity against other enzymesIGF1R | KIT | PDGFR beta | PDGFR alpha | TIE2 | VEGFR1 | VEGFR2 | VEGFR3 | ALL
Pub Chem Link 46231220
Drug Bank Link -
ChemSpider Link 24649660
ChEMBL Link CHEMBL597492
 
TOP