Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003421
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article18 compound
IUPAC Name1-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(2-chloroethyl)-3-methylurea
FormulaC18H17BrClN5O
Mass434.717
Exact Mass433.0305005
Composition C (49.73%), H (3.94%), Br (18.38%), Cl (8.16%), N (16.11%), O (3.68%)
Atom Count43
PI8.58
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)N(CCCl)C
InChI1S/C18H17BrClN5O/c1-25(8-7-20)18(26)24-14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(19)9-13/h2-6
,9-11H,7-8H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyFAZUHUXMTHLPAZ-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
Reference16759097
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 44412244
Drug Bank Link -
ChemSpider Link 23271437
ChEMBL Link CHEMBL379047
 
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