Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001744
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence ArticleCL-387785
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide
FormulaC18H13BrN4O
Mass381.226
Exact Mass380.0272737
Composition C (56.71%), H (3.44%), Br (20.96%), N (14.7%), O (4.2%)
Atom Count37
PI8.1
SmilesCC#CC(=O)Nc1cc2c(cc1)ncnc2Nc1cc(ccc1)Br
InChI1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3
,(H,22,24)(H,20,21,23)
InChIKeyBTYYWOYVBXILOJ-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
Reference20033049
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 2674
ChEMBL Link CHEMBL91867
 
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