Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004720
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article20
IUPAC Name2-({2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}amino)ethan-1-ol
FormulaC23H21ClF3N5O2
Mass491.893
Exact Mass491.1335873
Composition C (56.16%), H (4.3%), Cl (7.21%), F (11.59%), N (14.24%), O (6.51%)
Atom Count55
PI12.5
Smilesc1(c2n(ccc2ncn1)CCNCCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F
InChI1S/C23H21ClF3N5O2/c24-18-13-16(4-5-20(18)34-17-3-1-2-15(12-17)23(25,26)27)31-22-21-19(29-14-30-22)6-
9-32(21)10-7-28-8-11-33/h1-6,9,12-14,28,33H,7-8,10-11H2,(H,29,30,31)
InChIKeyABLXXKUDDSMAHU-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
Reference22003817
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 56850930
Drug Bank Link -
ChemSpider Link 28423601
ChEMBL Link CHEMBL1923013
 
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