Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001950
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article2j compound
IUPAC Name[(3R)-1-(6,7-dimethoxyquinazolin-4-yl)-3-methyl-5-phenylpent-1-yn-3-yl]diethylamine
FormulaC26H31N3O2
Mass417.5432
Exact Mass417.2416273
Composition C (74.79%), H (7.48%), N (10.06%), O (7.66%)
Atom Count62
PINo isoelectric point.
Smilesc1(c(cc2c(c1)c(ncn2)C#C[C@](C)(N(CC)CC)CCc1ccccc1)OC)OC
InChI1S/C26H31N3O2/c1-6-29(7-2)26(3,15-13-20-11-9-8-10-12-20)16-14-22-21-17-24(30-4)25(31-5)18-23(21)28-1
9-27-22/h8-12,17-19H,6-7,13,15H2,1-5H3/t26-/m1/s1
InChIKeySDPZPDJPVLTMKD-AREMUKBSSA-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
Reference17869510
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23306763
ChEMBL Link CHEMBL250726
 
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