Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004319
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article12 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-(3-oxo-2,3-dihydro-1,2-thiazol-2-yl)acetamide
FormulaC19H14BrN5O2S
Mass456.316
Exact Mass455.0051581
Composition C (50.01%), H (3.09%), Br (17.51%), N (15.35%), O (7.01%), S (7.03%)
Atom Count42
PI7.97
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)Cn1c(=O)ccs1
InChI1S/C19H14BrN5O2S/c20-12-2-1-3-13(8-12)24-19-15-9-14(4-5-16(15)21-11-22-19)23-17(26)10-25-18(27)6-7-2
8-25/h1-9,11H,10H2,(H,23,26)(H,21,22,24)
InChIKeyXEJKUBDGAQQSNP-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24652451
ChEMBL Link CHEMBL603266
 
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