Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000928
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8 compound
IUPAC NameN-[(4-chlorophenyl)methyl]quinazolin-4-amine
FormulaC15H12ClN3
Mass269.729
Exact Mass269.0719751
Composition C (66.79%), H (4.48%), Cl (13.14%), N (15.58%)
Atom Count31
PI11.7
Smilesc12c(cccc1)ncnc2NCc1ccc(cc1)Cl
InChI1S/C15H12ClN3/c16-12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10H,9H2,(H,17,18,19)
InChIKeyBTRLSAYDVSPYCS-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
Reference7658435
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 5328014
Drug Bank Link -
ChemSpider Link 4485181
ChEMBL Link CHEMBL117554
 
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