Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003001
Inhibitor ClassIndole
Molecule Name in Refrence Article9 compound
IUPAC Name4-(2-{[3-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]-1H-indol-5-yl]oxy}ethyl)phenol
FormulaC31H30N2O2
Mass462.5821
Exact Mass462.2307282
Composition C (80.49%), H (6.54%), N (6.06%), O (6.92%)
Atom Count65
PI9.91
Smilesc1c(ccc2c1c(cn2Cc1ccc(cc1)c1ccccc1)CCN)OCCc1ccc(cc1)O
InChI1S/C31H30N2O2/c32-18-16-27-22-33(21-24-6-10-26(11-7-24)25-4-2-1-3-5-25)31-15-14-29(20-30(27)31)35-19
-17-23-8-12-28(34)13-9-23/h1-15,20,22,34H,16-19,21,32H2
InChIKeyONLFVEWFNWQIBS-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
Reference20456957
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesVEGFR2 | IGF1R | VEGFR3 | ALL
Pub Chem Link 46888663
Drug Bank Link -
ChemSpider Link 25049337
ChEMBL Link CHEMBL1199071
 
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