Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002005
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7 compound
IUPAC Name(2R)-1-(morpholin-4-yl)-2-[(4-{[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]propan-1-one
FormulaC28H27N7O3
Mass509.5591
Exact Mass509.2175378
Composition C (66%), H (5.34%), N (19.24%), O (9.42%)
Atom Count65
PI9.88
Smilesc12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1ccccn1)O[C@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C28H27N7O3/c1-19(28(36)34-11-13-37-14-12-34)38-25-7-4-6-23-26(25)27(31-18-30-23)33-21-8-9-2
4-20(15-21)16-32-35(24)17-22-5-2-3-10-29-22/h2-10,15-16,18-19H,11-14,17H2,1H3,(H,30,31,33)/t19-/m1/s
1
InChIKeyInChIKey=SMSWJYWJBIOKNH-LJQANCHMSA-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
Reference18313293
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 16036788
Drug Bank Link -
ChemSpider Link 13165383
ChEMBL Link CHEMBL256576
 
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