Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000178
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article17 compound
IUPAC Name4-(benzylsulfanyl)-6-chloro-2-(4-methylphenyl)quinazoline
FormulaC22H17ClN2S
Mass376.902
Exact Mass376.080097
Composition C (70.11%), H (4.55%), Cl (9.41%), N (7.43%), S (8.51%)
Atom Count43
PINo isoelectric point.
Smilesn1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)SCc1ccccc1
InChI1S/C22H17ClN2S/c1-15-7-9-17(10-8-15)21-24-20-12-11-18(23)13-19(20)22(25-21)26-14-16-5-3-2-4-6-16/h2-
13H,14H2,1H3
InChIKeyQPOBXEYASPHJNJ-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 26352577
ChEMBL Link CHEMBL1242261
 
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