Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004270
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article18b compound
IUPAC Name(2S)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-1-(prop-2-enoyl)pyrrolidine-2-carboxamide
FormulaC23H21ClFN5O3
Mass469.896
Exact Mass469.1316955
Composition C (58.79%), H (4.5%), Cl (7.54%), F (4.04%), N (14.9%), O (10.21%)
Atom Count54
PI8.05
Smilesc12cc(c(cc1ncnc2Nc1cc(c(cc1)F)Cl)OC)NC(=O)[C@@H]1CCCN1C(=O)C=C
InChI1S/C23H21ClFN5O3/c1-3-21(31)30-8-4-5-19(30)23(32)29-18-10-14-17(11-20(18)33-2)26-12-27-22(14)28-13-6
-7-16(25)15(24)9-13/h3,6-7,9-12,19H,1,4-5,8H2,2H3,(H,29,32)(H,26,27,28)/t19-/m0/s1
InChIKeyXPAHDSXWGOSPMF-IBGZPJMESA-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
Reference19888761
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 -
Drug Bank Link -
ChemSpider Link 24635060
ChEMBL Link CHEMBL569871
 
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