Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001101
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article17 Compound
IUPAC Name4-N-[(3-chloro-4-fluorophenyl)methyl]-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine
FormulaC13H13ClFN5O
Mass309.727
Exact Mass309.079266
Composition C (50.41%), H (4.23%), Cl (11.45%), F (6.13%), N (22.61%), O (5.17%)
Atom Count34
PI12.08
SmilesN(c1c(c(ncn1)N)/C=N/OC)Cc1cc(c(cc1)F)Cl
InChI1S/C13H13ClFN5O/c1-21-20-6-9-12(16)18-7-19-13(9)17-5-8-2-3-11(15)10(14)4-8/h2-4,6-7H,5H2,1H3,(H3,16,
17,18,19)/b20-6+
InChIKeyZWFYXFAJZVJGKQ-CGOBSMCZSA-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
Reference18508264
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 23315562
ChEMBL Link CHEMBL255291
 
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