Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003585
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article2 compound
IUPAC Name3-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine
FormulaC11H10ClN7
Mass275.697
Exact Mass275.0686211
Composition C (47.92%), H (3.66%), Cl (12.86%), N (35.56%)
Atom Count29
PI8.58
Smilesc1(c2c(nc(nc2N)N)n[nH]1)Nc1cc(Cl)ccc1
InChI1S/C11H10ClN7/c12-5-2-1-3-6(4-5)15-9-7-8(13)16-11(14)17-10(7)19-18-9/h1-4H,(H6,13,14,15,16,17,18,19)
InChIKeyYASYSLUSCVNMAJ-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
Reference9357527
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesc-Src | PKC alpha | v-Abl | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4484991
ChEMBL Link CHEMBL122068
 
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