Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003594
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article11 compound
IUPAC Name3-N-(3-chlorophenyl)-4-N-(3-methylphenyl)-5H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
FormulaC18H15ClN6
Mass350.805
Exact Mass350.1046722
Composition C (61.63%), H (4.31%), Cl (10.11%), N (23.96%)
Atom Count40
PI3.34
Smilesc1(c2c([nH]cnc2nn1)Nc1cc(ccc1)C)Nc1cc(Cl)ccc1
InChI1S/C18H15ClN6/c1-11-4-2-6-13(8-11)22-16-15-17(21-10-20-16)24-25-18(15)23-14-7-3-5-12(19)9-14/h2-10H,
1H3,(H3,20,21,22,23,24,25)
InChIKeyPLZVTPONFFMTDM-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 enzymesv-Abl | PKC alpha | c-Src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4484997
ChEMBL Link CHEMBL120069
 
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