Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001040
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article10d compound
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[methyl(propan-2-yl)amino]but-2-ynamide
FormulaC22H22BrN5O
Mass452.347
Exact Mass451.100773
Composition C (58.41%), H (4.9%), Br (17.66%), N (15.48%), O (3.54%)
Atom Count51
PI10.16
Smilesc12c(ccc(c1)NC(=O)C#CCN(C)C(C)C)ncnc2Nc1cccc(c1)Br
InChI1S/C22H22BrN5O/c1-15(2)28(3)11-5-8-21(29)26-18-9-10-20-19(13-18)22(25-14-24-20)27-17-7-4-6-16(23)12-
17/h4,6-7,9-10,12-15H,11H2,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyINNDLQJCKYFJTJ-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
Reference11495584
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 5328957
Drug Bank Link -
ChemSpider Link 4486119
ChEMBL Link CHEMBL91811
 
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