Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003262
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article1t compound
IUPAC Name2-[(2-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl}ethyl)(methyl)amino]ethan-1-ol
FormulaC24H27N5O2
Mass417.5035
Exact Mass417.2164751
Composition C (69.04%), H (6.52%), N (16.77%), O (7.66%)
Atom Count58
PI12.32
Smilesn1cnc2c(c1N)c(cn2c1ccc(cc1)CCN(CCO)C)c1cc(ccc1)OC
InChI1S/C24H27N5O2/c1-28(12-13-30)11-10-17-6-8-19(9-7-17)29-15-21(18-4-3-5-20(14-18)31-2)22-23(25)26-16-2
7-24(22)29/h3-9,14-16,30H,10-13H2,1-2H3,(H2,25,26,27)
InChIKeyDYVPNYHYZSMFSR-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 enzymesKdr | CDC2 | c-Src | v-Abl | ALL
Pub Chem Link 44335197
Drug Bank Link -
ChemSpider Link 23190414
ChEMBL Link CHEMBL105436
 
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