Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003589
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article6 compound
IUPAC Name3-N-(3-chlorophenyl)-5H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
FormulaC11H9ClN6
Mass260.682
Exact Mass260.057722
Composition C (50.68%), H (3.48%), Cl (13.6%), N (32.24%)
Atom Count27
PI3.89
Smilesc1(nnc2c1c([nH]cn2)N)Nc1cc(Cl)ccc1
InChI1S/C11H9ClN6/c12-6-2-1-3-7(4-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)
InChIKeyZDNMTYMNWKRHQA-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 enzymesPKC alpha | v-Abl | c-Src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4484992
ChEMBL Link CHEMBL121190
 
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