Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000015
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5 compound
IUPAC Name(2R)-1-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)pyrrolidine-2-carboxamide
FormulaC21H21ClFN5O2
Mass429.875
Exact Mass429.1367809
Composition C (58.67%), H (4.92%), Cl (8.25%), F (4.42%), N (16.29%), O (7.44%)
Atom Count51
PI10.96
Smilesc12c(cc(c(c1)CN1CCC[C@@H]1C(=O)N)OC)ncnc2Nc1cc(c(cc1)F)Cl
InChI1S/C21H21ClFN5O2/c1-30-19-9-17-14(7-12(19)10-28-6-2-3-18(28)20(24)29)21(26-11-25-17)27-13-4-5-16(23)
15(22)8-13/h4-5,7-9,11,18H,2-3,6,10H2,1H3,(H2,24,29)(H,25,26,27)/t18-/m1/s1
InChIKeyVFRFZAHRSWUZQO-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 11532048
Drug Bank Link -
ChemSpider Link 9706831
ChEMBL Link CHEMBL206955
 
TOP