Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003602
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article19 compound
IUPAC Name3-N-benzyl-4-N-(3-chlorophenyl)-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
PI3.36
Smilesc1(c2c(nnc2nc[nH]1)NCc1ccccc1)Nc1cc(Cl)ccc1
InChI1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-16-15-17(24-25-18(15)22-11-21-16)20-10-12-5-2-1-3-6-12/h1-9,11
H,10H2,(H3,20,21,22,23,24,25)
InChIKeyBEXPELAOVIOQHQ-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 | CDK1 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485005
ChEMBL Link CHEMBL121796
 
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