Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000750
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article47 compound
IUPAC Name4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine
FormulaC14H10BrClN4
Mass349.613
Exact Mass347.9777367
Composition C (48.1%), H (2.88%), Br (22.85%), Cl (10.14%), N (16.03%)
Atom Count30
PI10.17
Smilesc12c(cc(c(c1)N)Cl)ncnc2Nc1cccc(c1)Br
InChI1S/C14H10BrClN4/c15-8-2-1-3-9(4-8)20-14-10-5-12(17)11(16)6-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20)
InChIKeyDXPXPVHLPOANFF-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
Reference8568816
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 5328213
Drug Bank Link -
ChemSpider Link 4485378
ChEMBL Link CHEMBL63469
 
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