Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003606
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article23 compound
IUPAC NameN-(3-chlorophenyl)-3-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC17H12ClN5
Mass321.764
Exact Mass321.0781231
Composition C (63.46%), H (3.76%), Cl (11.02%), N (21.77%)
Atom Count35
PI3.71
Smilesc12c([nH]cnc2nnc1c1ccccc1)Nc1cc(Cl)ccc1
InChI1S/C17H12ClN5/c18-12-7-4-8-13(9-12)21-16-14-15(11-5-2-1-3-6-11)22-23-17(14)20-10-19-16/h1-10H,(H2,19
,20,21,22,23)
InChIKeyJBHXXYIRQFVFOU-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 | CDK1 | v-Abl | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485009
ChEMBL Link CHEMBL119977
 
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