Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003254
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article1l compound
IUPAC Name(3-{4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl}phenyl)methanol
FormulaC19H16N4O
Mass316.3565
Exact Mass316.1324112
Composition C (72.13%), H (5.1%), N (17.71%), O (5.06%)
Atom Count40
PI11.06
Smilesn1cnc2c(c1N)c(cn2c1cccc(c1)CO)c1ccccc1
InChI1S/C19H16N4O/c20-18-17-16(14-6-2-1-3-7-14)10-23(19(17)22-12-21-18)15-8-4-5-13(9-15)11-24/h1-10,12,24
H,11H2,(H2,20,21,22)
InChIKeyYHRRFPHKXXYHDL-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 enzymesv-Abl | CDC2 | c-Src | ALL
Pub Chem Link 44384547
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL173478
 
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