Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001834
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6 compound
IUPAC Name4-N-(3-bromophenyl)-6-N-(2-chloroethyl)quinazoline-4,6-diamine
FormulaC16H14BrClN4
Mass377.666
Exact Mass376.0090368
Composition C (50.88%), H (3.74%), Br (21.16%), Cl (9.39%), N (14.84%)
Atom Count36
PI10.52
Smilesc1(c2c(ncn1)ccc(c2)NCCCl)Nc1cc(Br)ccc1
InChI1S/C16H14BrClN4/c17-11-2-1-3-13(8-11)22-16-14-9-12(19-7-6-18)4-5-15(14)20-10-21-16/h1-5,8-10,19H,6-7
H2,(H,20,21,22)
InChIKeyNPLZGCKBBUBACR-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
Reference15686928
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 11303451
Drug Bank Link -
ChemSpider Link 9478427
ChEMBL Link CHEMBL181617
 
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