Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003417
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article14 compound
IUPAC Name3-(2-chloroethyl)-1-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}urea
FormulaC17H15Cl2N5O
Mass376.24
Exact Mass375.0653655
Composition C (54.27%), H (4.02%), Cl (18.85%), N (18.61%), O (4.25%)
Atom Count40
PI8.65
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)NC(=O)NCCCl
InChI1S/C17H15Cl2N5O/c18-6-7-20-17(25)24-13-4-5-15-14(9-13)16(22-10-21-15)23-12-3-1-2-11(19)8-12/h1-5,8-1
0H,6-7H2,(H2,20,24,25)(H,21,22,23)
InChIKeyYGKHBSOOIDIVBR-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 11675213
Drug Bank Link -
ChemSpider Link 9849942
ChEMBL Link CHEMBL210444
 
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