Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004321
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article14 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(propan-2-yl)-1,2,4-thiadiazole-5-carboxamide
FormulaC20H17BrN6OS
Mass469.358
Exact Mass468.0367925
Composition C (51.18%), H (3.65%), Br (17.02%), N (17.91%), O (3.41%), S (6.83%)
Atom Count46
PI6.09
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)c1nc(ns1)C(C)C
InChI1S/C20H17BrN6OS/c1-11(2)17-26-20(29-27-17)19(28)25-14-6-7-16-15(9-14)18(23-10-22-16)24-13-5-3-4-12(2
1)8-13/h3-11H,1-2H3,(H,25,28)(H,22,23,24)
InChIKeyJYRQQTDGMXEQRW-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
Reference20151670
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 24653608
ChEMBL Link CHEMBL606403
 
TOP