Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002350
Inhibitor ClassPyrrolo-pyridazine
Molecule Name in Refrence Article12 compound
IUPAC Nameethyl 4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-7-methyl-6H-pyrrolo[3,4-d]pyridazine-5-carboxylate
FormulaC23H20ClFN4O3
Mass454.881
Exact Mass454.1207964
Composition C (60.73%), H (4.43%), Cl (7.79%), F (4.18%), N (12.32%), O (10.55%)
Atom Count52
PI6.41
Smilesc1nnc(c2c1c([nH]c2C(=O)OCC)C)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl
InChI1S/C23H20ClFN4O3/c1-3-31-23(30)21-20-17(13(2)27-21)11-26-29-22(20)28-16-7-8-19(18(24)10-16)32-12-14-
5-4-6-15(25)9-14/h4-11,27H,3,12H2,1-2H3,(H,28,29)
InChIKeyNURBYSCFSBBMLZ-UHFFFAOYSA-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
Reference19815412
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 46879472
Drug Bank Link -
ChemSpider Link 24661002
ChEMBL Link CHEMBL1080990
 
TOP