Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001431
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article25 compound
IUPAC NameN-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}thiophen-3-yl)thieno[3,2-d]pyrimidin-4-amine
FormulaC27H24ClFN4O3S3
Mass603.151
Exact Mass602.0683086
Composition C (53.77%), H (4.01%), Cl (5.88%), F (3.15%), N (9.29%), O (7.96%), S (15.95%)
Atom Count63
PI11.24
Smilesc1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)cc(s2)c1csc(c1)CNCCS(=O)(=O)C
InChI1S/C27H24ClFN4O3S3/c1-39(34,35)8-7-30-13-21-10-18(15-37-21)25-12-23-26(38-25)27(32-16-31-23)33-20-5-
6-24(22(28)11-20)36-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33)
InChIKeyRAKHTNLGXMUAQG-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 24578594
ChEMBL Link CHEMBL474431
 
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