Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000272
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3g compound
IUPAC NameN-(3-bromophenyl)-8-[3-(morpholin-4-yl)propyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
FormulaC23H24BrN5O
Mass466.374
Exact Mass465.1164231
Composition C (59.23%), H (5.19%), Br (17.13%), N (15.02%), O (3.43%)
Atom Count54
PI11.65
Smilesc12c(cc3c(c1)ccn3CCCN1CCOCC1)ncnc2Nc1cccc(c1)Br
InChI1S/C23H24BrN5O/c24-18-3-1-4-19(14-18)27-23-20-13-17-5-8-29(22(17)15-21(20)25-16-26-23)7-2-6-28-9-11-
30-12-10-28/h1,3-5,8,13-16H,2,6-7,9-12H2,(H,25,26,27)
InChIKeyNFCOOGUSNHUTQY-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
Reference9154973
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 5328290
Drug Bank Link -
ChemSpider Link 4485455
ChEMBL Link CHEMBL1797418
 
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