Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003613
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article30 compound
IUPAC Name3-(4-aminophenyl)-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC17H13ClN6
Mass336.778
Exact Mass336.0890222
Composition C (60.63%), H (3.89%), Cl (10.53%), N (24.95%)
Atom Count37
PI8.16
Smilesc12c(ncnc2n[nH]c1c1ccc(N)cc1)Nc1cc(Cl)ccc1
InChI1S/C17H13ClN6/c18-11-2-1-3-13(8-11)22-16-14-15(10-4-6-12(19)7-5-10)23-24-17(14)21-9-20-16/h1-9H,19H2
,(H2,20,21,22,23,24)
InChIKeyBXQSENVZNNEEBV-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 | CDK1 | c-Src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485016
ChEMBL Link CHEMBL332906
 
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