Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001306
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article13 compound
IUPAC Name4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(1E)-[2-(2,2,2-trifluoroethyl)hydrazin-1-ylidene]methyl]pyrimidine-4,6-diamine
FormulaC21H18F4N8
Mass458.4148
Exact Mass458.1590554
Composition C (55.02%), H (3.96%), F (16.58%), N (24.44%)
Atom Count51
PI9.53
Smilesn1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)N)/C=N/NCC(F)(F)F)Cc1cc(ccc1)F
InChI1S/C21H18F4N8/c22-15-3-1-2-13(6-15)10-33-18-5-4-16(7-14(18)8-31-33)32-20-17(19(26)27-12-28-20)9-29-3
0-11-21(23,24)25/h1-9,12,30H,10-11H2,(H3,26,27,28,32)/b29-9+
InChIKeyKVQIKILPEUOSQA-GESPGMLMSA-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
Reference18653333
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 24708788
ChEMBL Link CHEMBL497863
 
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