Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004674
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article29
IUPAC Name2-[(R)-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}sulfinyl]ethan-1-ol
FormulaC23H20ClF3N4O3S
Mass524.943
Exact Mass524.0896735
Composition C (52.62%), H (3.84%), Cl (6.75%), F (10.86%), N (10.67%), O (9.14%), S (6.11%)
Atom Count55
PI10.36
Smilesc1(c2n(ccc2ncn1)CC[S@@](=O)CCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F
InChI1S/C23H20ClF3N4O3S/c24-18-13-16(4-5-20(18)34-17-3-1-2-15(12-17)23(25,26)27)30-22-21-19(28-14-29-22)6
-7-31(21)8-10-35(33)11-9-32/h1-7,12-14,32H,8-11H2,(H,28,29,30)/t35-/m1/s1
InChIKeyJFEKMLAOHVYFGS-PGUFJCEWSA-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 -
Drug Bank Link -
ChemSpider Link 28423598
ChEMBL Link -
 
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