Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000912
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article23 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-N-[3-(morpholin-4-yl)propyl]prop-2-enamide
FormulaC24H26BrN5O2
Mass496.4
Exact Mass495.1269877
Composition C (58.07%), H (5.28%), Br (16.1%), N (14.11%), O (6.45%)
Atom Count58
PI11.19
Smilesn1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)N(C(=O)C=C)CCCN1CCOCC1
InChI1S/C24H26BrN5O2/c1-2-23(31)30(10-4-9-29-11-13-32-14-12-29)20-7-8-22-21(16-20)24(27-17-26-22)28-19-6-
3-5-18(25)15-19/h2-3,5-8,15-17H,1,4,9-14H2,(H,26,27,28)
InChIKeyFQAVYQDBRCNTBT-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
Reference11462982
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 5329084
Drug Bank Link -
ChemSpider Link 4486246
ChEMBL Link CHEMBL139307
 
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