Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004439
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article6e
IUPAC NameN-[3-chloro-4-(3-chlorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
FormulaC18H12Cl2N4O
Mass371.22
Exact Mass370.0388164
Composition C (58.24%), H (3.26%), Cl (19.1%), N (15.09%), O (4.31%)
Atom Count37
PI9.61
Smilesc1(c2[nH]ccc2ncn1)Nc1ccc(c(c1)Cl)Oc1cc(ccc1)Cl
InChI1S/C18H12Cl2N4O/c19-11-2-1-3-13(8-11)25-16-5-4-12(9-14(16)20)24-18-17-15(6-7-21-17)22-10-23-18/h1-10
,21H,(H,22,23,24)
InChIKeyOXAZPVDJCIJPFP-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 56851430
Drug Bank Link -
ChemSpider Link 28481697
ChEMBL Link CHEMBL1921812
 
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