Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002028
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7f compound
IUPAC Name3-(3-ethoxypropyl)-2-hexyl-N-(4-methoxyphenyl)-3H-imidazo[4,5-g]quinazolin-8-amine
FormulaC27H35N5O2
Mass461.5991
Exact Mass461.2790754
Composition C (70.25%), H (7.64%), N (15.17%), O (6.93%)
Atom Count69
PI11.03
SmilesCCCCCCc1nc2cc3c(Nc4ccc(OC)cc4)ncnc3cc2n1CCCOCC
InChI1S/C27H35N5O2/c1-4-6-7-8-10-26-31-24-17-22-23(18-25(24)32(26)15-9-16-34-5-2)28-19-29-27(22)30-20-11-
13-21(33-3)14-12-20/h11-14,17-19H,4-10,15-16H2,1-3H3,(H,28,29,30)
InChIKeyCJEGRDJOHZPXTL-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
Reference18313807
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 25029344
Drug Bank Link -
ChemSpider Link 23336701
ChEMBL Link CHEMBL473196
 
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