Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004721
Inhibitor ClassAnilino-pyrimidine
Molecule Name in Refrence Article20 compound
IUPAC NameN-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-{3-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]prop-1-yn-1-yl}pyrimidin-4-amine
FormulaC30H28ClFN4O2
Mass531.02
Exact Mass530.1884821
Composition C (67.85%), H (5.31%), Cl (6.68%), F (3.58%), N (10.55%), O (6.03%)
Atom Count66
PI12.07
Smilesc1cc(cc(c1OCc1cccc(c1)F)Cl)Nc1c(c(ncn1)C)C#CCc1oc(cc1)CN1CCCC1
InChI1S/C30H28ClFN4O2/c1-21-27(9-5-8-25-11-12-26(38-25)18-36-14-2-3-15-36)30(34-20-33-21)35-24-10-13-29(2
8(31)17-24)37-19-22-6-4-7-23(32)16-22/h4,6-7,10-13,16-17,20H,2-3,8,14-15,18-19H2,1H3,(H,33,34,35)
InChIKeyLLMAPTYYOKKPFE-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
Reference22101132
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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