Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004429
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article6j
IUPAC NameN-{3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine
FormulaC19H12ClF3N4O
Mass404.773
Exact Mass404.0651733
Composition C (56.38%), H (2.99%), Cl (8.76%), F (14.08%), N (13.84%), O (3.95%)
Atom Count40
PI9.61
Smilesc1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1cc(ccc1)C(F)(F)F
InChI1S/C19H12ClF3N4O/c20-14-9-12(27-18-17-15(6-7-24-17)25-10-26-18)4-5-16(14)28-13-3-1-2-11(8-13)19(21,2
2)23/h1-10,24H,(H,25,26,27)
InChIKeyWFWGCFGIGNLAGO-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 56851589
Drug Bank Link -
ChemSpider Link 28477796
ChEMBL Link CHEMBL1922905
 
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