Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004427
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article6l
IUPAC NameN-{3-chloro-4-[3-(trifluoromethoxy)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine
FormulaC19H12ClF3N4O2
Mass420.772
Exact Mass420.060088
Composition C (54.23%), H (2.87%), Cl (8.43%), F (13.55%), N (13.32%), O (7.6%)
Atom Count41
PI9.61
Smilesc1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1cc(ccc1)OC(F)(F)F
InChI1S/C19H12ClF3N4O2/c20-14-8-11(27-18-17-15(6-7-24-17)25-10-26-18)4-5-16(14)28-12-2-1-3-13(9-12)29-19(
21,22)23/h1-10,24H,(H,25,26,27)
InChIKeyPEGQWGLLBPWDAS-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 56851591
Drug Bank Link -
ChemSpider Link 28480744
ChEMBL Link CHEMBL1922998
 
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