Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000251
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8 compound
IUPAC NameN-[4-(6-bromo-1H-indol-1-yl)quinazolin-6-yl]prop-2-enamide
FormulaC19H13BrN4O
Mass393.237
Exact Mass392.0272737
Composition C (58.03%), H (3.33%), Br (20.32%), N (14.25%), O (4.07%)
Atom Count38
PI9.4
Smilesc12c(ccc(c1)NC(=O)C=C)ncnc2n1c2c(cc1)ccc(c2)Br
InChI1S/C19H13BrN4O/c1-2-18(25)23-14-5-6-16-15(10-14)19(22-11-21-16)24-8-7-12-3-4-13(20)9-17(12)24/h2-11H
,1H2,(H,23,25)
InChIKeyQGTLZQAJVQUAJR-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
Reference10346932
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 -
ChEMBL Link CHEMBL51741
 
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