Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004665
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article33
IUPAC Name(2E)-3-(4-chlorophenyl)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}prop-2-enamide
FormulaC23H16Cl2N4O
Mass435.305
Exact Mass434.0701166
Composition C (63.46%), H (3.7%), Cl (16.29%), N (12.87%), O (3.68%)
Atom Count46
PI9.11
Smilesc1(ccc(cc1)Cl)/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl
InChI1S/C23H16Cl2N4O/c24-16-7-4-15(5-8-16)6-11-22(30)28-19-9-10-21-20(13-19)23(27-14-26-21)29-18-3-1-2-17
(25)12-18/h1-14H,(H,28,30)(H,26,27,29)/b11-6+
InChIKeyRJPBTSMSUMSUSP-IZZDOVSWSA-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
Reference21763148
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 56669669
Drug Bank Link -
ChemSpider Link 26630999
ChEMBL Link CHEMBL1812562
 
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