Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001984
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article12i compound
IUPAC Name1-{2-[(4-{[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethyl}piperidin-4-ol
FormulaC25H29N7O4
Mass491.5423
Exact Mass491.2281025
Composition C (61.09%), H (5.95%), N (19.95%), O (13.02%)
Atom Count65
PI8.05
Smilesn1cnc(c2c1[nH]nc2OCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)OC)OCc1ncccc1
InChI1S/C25H29N7O4/c1-34-21-14-17(5-6-20(21)36-15-18-4-2-3-9-26-18)29-23-22-24(28-16-27-23)30-31-25(22)35
-13-12-32-10-7-19(33)8-11-32/h2-6,9,14,16,19,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31)
InChIKeyVMDUWDNQTGHKSN-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 11569434
Drug Bank Link -
ChemSpider Link 9744204
ChEMBL Link CHEMBL401713
 
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