Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000455
Inhibitor ClassBenzoic nitrogen mustard derivative
Molecule Name in Refrence Article5i compound
IUPAC Name4-[bis(2-chloroethyl)amino]-N-(4-bromophenyl)benzamide
FormulaC17H17BrCl2N2O
Mass416.14
Exact Mass413.9901312
Composition C (49.07%), H (4.12%), Br (19.2%), Cl (17.04%), N (6.73%), O (3.84%)
Atom Count40
PI6.2
Smilesc1cc(ccc1N(CCCl)CCCl)C(=O)Nc1ccc(cc1)Br
InChI1S/C17H17BrCl2N2O/c18-14-3-5-15(6-4-14)21-17(23)13-1-7-16(8-2-13)22(11-9-19)12-10-20/h1-8H,9-12H2,(H
,21,23)
InChIKeyBLKHBMPRDHTKGF-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
Reference20005116
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 24645006
ChEMBL Link CHEMBL589831
 
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