Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003416
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13 compound
IUPAC Name3-(2-chloroethyl)-1-{4-[(3-methylphenyl)amino]quinazolin-6-yl}urea
FormulaC18H18ClN5O
Mass355.821
Exact Mass355.1199879
Composition C (60.76%), H (5.1%), Cl (9.96%), N (19.68%), O (4.5%)
Atom Count43
PI8.66
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)C)NC(=O)NCCCl
InChI1S/C18H18ClN5O/c1-12-3-2-4-13(9-12)23-17-15-10-14(24-18(25)20-8-7-19)5-6-16(15)21-11-22-17/h2-6,9-11
H,7-8H2,1H3,(H2,20,24,25)(H,21,22,23)
InChIKeyZXLPAHMADMWUCE-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 11717370
Drug Bank Link -
ChemSpider Link 9892091
ChEMBL Link CHEMBL208240
 
TOP