Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001435
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article29 compound
IUPAC NameN-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}-1H-pyrrol-2-yl)thieno[3,2-d]pyrimidin-4-amine
FormulaC27H25ClFN5O3S2
Mass586.101
Exact Mass585.107137
Composition C (55.33%), H (4.3%), Cl (6.05%), F (3.24%), N (11.95%), O (8.19%), S (10.94%)
Atom Count64
PI10.98
Smilesc1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)cc(s2)c1ccc([nH]1)CNCCS(=O)(=O)C
InChI1S/C27H25ClFN5O3S2/c1-39(35,36)10-9-30-14-20-5-7-22(33-20)25-13-23-26(38-25)27(32-16-31-23)34-19-6-8
-24(21(28)12-19)37-15-17-3-2-4-18(29)11-17/h2-8,11-13,16,30,33H,9-10,14-15H2,1H3,(H,31,32,34)
InChIKeyZOGNMJNQBLFBPT-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 44571434
Drug Bank Link -
ChemSpider Link 24698199
ChEMBL Link CHEMBL475446
 
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