Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001429
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article23 compound
IUPAC NameN-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-3-yl)thieno[3,2-d]pyrimidin-4-amine
FormulaC27H24ClFN4O4S2
Mass587.085
Exact Mass586.0911526
Composition C (55.24%), H (4.12%), Cl (6.04%), F (3.24%), N (9.54%), O (10.9%), S (10.92%)
Atom Count63
PI10.89
Smilesc1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)cc(s2)c1coc(c1)CNCCS(=O)(=O)C
InChI1S/C27H24ClFN4O4S2/c1-39(34,35)8-7-30-13-21-10-18(15-36-21)25-12-23-26(38-25)27(32-16-31-23)33-20-5-
6-24(22(28)11-20)37-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33)
InChIKeyCREMXLIEDCOOOC-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
Reference19111461
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 24656564
ChEMBL Link CHEMBL475769
 
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