Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003249
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article1f compound
IUPAC Name5-(3-chlorophenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC18H13ClN4
Mass320.776
Exact Mass320.0828741
Composition C (67.4%), H (4.08%), Cl (11.05%), N (17.47%)
Atom Count36
PINo isoelectric point.
Smilesn1cnc2c(c1N)c(cn2c1ccccc1)c1cc(ccc1)Cl
InChI1S/C18H13ClN4/c19-13-6-4-5-12(9-13)15-10-23(14-7-2-1-3-8-14)18-16(15)17(20)21-11-22-18/h1-11H,(H2,20
,21,22)
InChIKeyKKYWVNPRFIJNKB-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
Reference10853665
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesCDC2 | Kdr | c-Src | v-Abl | ALL
Pub Chem Link 44385080
Drug Bank Link -
ChemSpider Link 18932075
ChEMBL Link CHEMBL176309
 
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