Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002013
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article15 compound
IUPAC Name(2R)-N,N-dimethyl-2-[(4-{[1-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]propanamide
FormulaC24H23N7O2S
Mass473.55
Exact Mass473.1633937
Composition C (60.87%), H (4.9%), N (20.7%), O (6.76%), S (6.77%)
Atom Count57
PI9.64
Smilesc12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1cscn1)O[C@@H](C(=O)N(C)C)C
InChIInChI=1S/C24H23N7O2S/c1-15(24(32)30(2)3)33-21-6-4-5-19-22(21)23(26-13-25-19)29-17-7-8-20-16(9-17)10-
28-31(20)11-18-12-34-14-27-18/h4-10,12-15H,11H2,1-3H3,(H,25,26,29)/t15-/m1/s1
InChIKeyInChIKey=SPQOUTREGZQUFW-OAHLLOKOSA-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 16117347
Drug Bank Link -
ChemSpider Link 17274565
ChEMBL Link CHEMBL256995
 
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