Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003597
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article14 compound
IUPAC Name4-N-(3-chlorophenyl)-3-N-(3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
FormulaC18H15ClN6O
Mass366.804
Exact Mass366.0995868
Composition C (58.94%), H (4.12%), Cl (9.67%), N (22.91%), O (4.36%)
Atom Count41
PI7.93
Smilesc1(c2c(ncnc2n[nH]1)Nc1cc(Cl)ccc1)Nc1cc(OC)ccc1
InChI1S/C18H15ClN6O/c1-26-14-7-3-6-13(9-14)23-18-15-16(20-10-21-17(15)24-25-18)22-12-5-2-4-11(19)8-12/h2-
10H,1H3,(H3,20,21,22,23,24,25)
InChIKeyABEGFBRZNZWQBS-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 | CDK1 | PKC alpha | c-Src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485000
ChEMBL Link CHEMBL120979
 
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