Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002069
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article PP145
IUPAC Nametert-butyl N-{6-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]quinolin-4-yl}carbamate
FormulaC22H25N7O2
Mass419.4796
Exact Mass419.2069731
Composition C (62.99%), H (6.01%), N (23.37%), O (7.63%)
Atom Count56
PI9.55
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)nccc2NC(=O)OC(C)(C)C
InChI1S/C22H25N7O2/c1-12(2)29-20-17(19(23)25-11-26-20)18(28-29)13-6-7-15-14(10-13)16(8-9-24-15)27-21(30)3
1-22(3,4)5/h6-12H,1-5H3,(H2,23,25,26)(H,24,27,30)
InChIKeyXEFOGCQNLWUZGB-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
Reference18849971
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 24905231
Drug Bank Link -
ChemSpider Link 24605228
ChEMBL Link CHEMBL1242033
 
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