Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002460
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article12 compound
IUPAC NameN-(4-{4-amino-1-[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-7-chloro-1,3-benzoxazol-2-amine
FormulaC28H29ClN8O2
Mass545.035
Exact Mass544.2101999
Composition C (61.7%), H (5.36%), Cl (6.5%), N (20.56%), O (5.87%)
Atom Count68
PI9.18
Smilesc1(ncnc2c1c(nn2[C@@H]1CC[C@H](CC1)N1CCOCC1)c1ccc(cc1)Nc1oc2c(n1)cccc2Cl)N
InChI1S/C28H29ClN8O2/c29-21-2-1-3-22-25(21)39-28(34-22)33-18-6-4-17(5-7-18)24-23-26(30)31-16-32-27(23)37(
35-24)20-10-8-19(9-11-20)36-12-14-38-15-13-36/h1-7,16,19-20H,8-15H2,(H,33,34)(H2,30,31,32)/t19-,20-
InChIKeyHAJVSTFCLZBFNA-MXVIHJGJSA-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
Reference20817523
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesIGF1R |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 26366319
ChEMBL Link CHEMBL1258118
 
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