Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000183
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article22 compound
IUPAC Name6-chloro-2-(4-methylphenyl)-4-(phenylmethane)sulfonylquinazoline
FormulaC22H17ClN2O2S
Mass408.901
Exact Mass408.0699262
Composition C (64.62%), H (4.19%), Cl (8.67%), N (6.85%), O (7.83%), S (7.84%)
Atom Count45
PI7.19
Smilesn1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)S(=O)(=O)Cc1ccccc1
InChI1S/C22H17ClN2O2S/c1-15-7-9-17(10-8-15)21-24-20-12-11-18(23)13-19(20)22(25-21)28(26,27)14-16-5-3-2-4-
6-16/h2-13H,14H2,1H3
InChIKeyDXDIYANURWGCFA-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
Reference20599299
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 26352182
ChEMBL Link CHEMBL1242442
 
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