Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000996
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article30 compound
IUPAC NameN-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC24H17ClN4
Mass396.872
Exact Mass396.1141743
Composition C (72.63%), H (4.32%), Cl (8.93%), N (14.12%)
Atom Count46
PI9.21
Smilesn1cnc2c(c1Nc1cc(ccc1)Cl)c(c([nH]2)c1ccccc1)c1ccccc1
InChI1S/C24H17ClN4/c25-18-12-7-13-19(14-18)28-23-21-20(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)29-24(21)27-1
5-26-23/h1-15H,(H2,26,27,28,29)
InChIKeyUYXXIXVMSUKWBN-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
Reference8691423
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesc-Src | v-Abl | ALL
Pub Chem Link 10692159
Drug Bank Link -
ChemSpider Link 8867504
ChEMBL Link CHEMBL307209
 
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