Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001845
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article10c compound
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-(oxan-4-yloxy)quinazolin-4-amine
FormulaC25H23ClN4O3
Mass462.928
Exact Mass462.1458683
Composition C (64.86%), H (5.01%), Cl (7.66%), N (12.1%), O (10.37%)
Atom Count56
PI10.01
Smilesc1(c2c(OC3CCOCC3)cccc2ncn1)Nc1cc(c(OCc2ncccc2)cc1)Cl
InChI1S/C25H23ClN4O3/c26-20-14-17(7-8-22(20)32-15-18-4-1-2-11-27-18)30-25-24-21(28-16-29-25)5-3-6-23(24)3
3-19-9-12-31-13-10-19/h1-8,11,14,16,19H,9-10,12-13,15H2,(H,28,29,30)
InChIKeyNGKDXIDMJWVNHU-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
Reference16055332
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 44403429
Drug Bank Link -
ChemSpider Link 23261678
ChEMBL Link CHEMBL193578
 
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