Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001980
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article12e compound
IUPAC Name1-{2-[(4-{[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethyl}piperidin-4-ol
FormulaC25H29N7O3
Mass475.5429
Exact Mass475.2331878
Composition C (63.14%), H (6.15%), N (20.62%), O (10.09%)
Atom Count64
PI8.05
Smilesn1cnc(c2c1[nH]nc2OCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)C)OCc1ccccn1
InChI1S/C25H29N7O3/c1-17-14-18(5-6-21(17)35-15-19-4-2-3-9-26-19)29-23-22-24(28-16-27-23)30-31-25(22)34-13
-12-32-10-7-20(33)8-11-32/h2-6,9,14,16,20,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31)
InChIKeyGYDNMCFYNSRRTC-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
Reference18182285
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 44455330
Drug Bank Link -
ChemSpider Link 23322961
ChEMBL Link CHEMBL403435
 
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