Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003605
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article22 compound
IUPAC Name4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
FormulaC19H17ClN6O
Mass380.831
Exact Mass380.1152369
Composition C (59.92%), H (4.5%), Cl (9.31%), N (22.07%), O (4.2%)
Atom Count44
PI8.09
Smilesc1(c2c([nH]nc2ncn1)NCc1ccc(cc1)OC)Nc1cc(Cl)ccc1
InChI1S/C19H17ClN6O/c1-27-15-7-5-12(6-8-15)10-21-18-16-17(22-11-23-19(16)26-25-18)24-14-4-2-3-13(20)9-14/
h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26)
InChIKeyKGHAUONMJSXUDW-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 | v-Abl | PKC alpha | CDK1 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485008
ChEMBL Link CHEMBL122245
 
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