Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000463
Inhibitor ClassBenzoic nitrogen mustard derivative
Molecule Name in Refrence Article5q compound
IUPAC Name4-[bis(2-chloroethyl)amino]-N-cyclopentylbenzamide
FormulaC16H22Cl2N2O
Mass329.265
Exact Mass328.1109188
Composition C (58.36%), H (6.73%), Cl (21.53%), N (8.51%), O (4.86%)
Atom Count43
PI8.22
Smilesc1cc(ccc1N(CCCl)CCCl)C(=O)NC1CCCC1
InChI1S/C16H22Cl2N2O/c17-9-11-20(12-10-18)15-7-5-13(6-8-15)16(21)19-14-3-1-2-4-14/h5-8,14H,1-4,9-12H2,(H,
19,21)
InChIKeyYNGWGAYBPCOHHO-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 24643876
ChEMBL Link CHEMBL589503
 
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