Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000023
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13 compound
IUPAC Name(2R)-1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)-4-methylpiperazine-2-carboxamide
FormulaC22H24ClFN6O2
Mass458.916
Exact Mass458.16333
Composition C (57.58%), H (5.27%), Cl (7.73%), F (4.14%), N (18.31%), O (6.97%)
Atom Count56
PI10.53
Smilesc12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1[C@H](CN(CC1)C)C(=O)N
InChI1S/C22H24ClFN6O2/c1-29-6-7-30(18(11-29)21(25)31)10-13-8-14-17(9-19(13)32-2)26-12-27-22(14)28-16-5-3-
4-15(23)20(16)24/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3,(H2,25,31)(H,26,27,28)/t18-/m1/s1
InChIKeyWKIVNYVECBOILW-GOSISDBHSA-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
Reference16516473
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23270065
ChEMBL Link CHEMBL204420
 
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