Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004036
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article4b compound
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-chloroacetamide
FormulaC16H12BrClN4O
Mass391.65
Exact Mass389.9883014
Composition C (49.07%), H (3.09%), Br (20.4%), Cl (9.05%), N (14.31%), O (4.09%)
Atom Count35
PI8.61
Smilesc1(c2c(ncn1)ccc(c2)NC(=O)CCl)Nc1cc(Br)ccc1
InChI1S/C16H12BrClN4O/c17-10-2-1-3-11(6-10)22-16-13-7-12(21-15(23)8-18)4-5-14(13)19-9-20-16/h1-7,9H,8H2,(
H,21,23)(H,19,20,22)
InChIKeyPCOWWMQRUYKPLC-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
Reference16078851
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 10023383
Drug Bank Link -
ChemSpider Link 8198954
ChEMBL Link CHEMBL193159
 
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