Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004767
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article14 compound
IUPAC Name3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[(1r,4r)-4-[4-(3-methoxypropyl)piperazin-1-yl]cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC34H43N9O2
Mass609.7643
Exact Mass609.3539717
Composition C (66.97%), H (7.11%), N (20.67%), O (5.25%)
Atom Count88
PI10.47
Smilesc1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCN(CC1)CCCOC)c1cc2c(cc1)nc([nH]2)Cc1ccccc1OC)N
InChI1S/C34H43N9O2/c1-44-19-5-14-41-15-17-42(18-16-41)25-9-11-26(12-10-25)43-34-31(33(35)36-22-37-34)32(4
0-43)24-8-13-27-28(20-24)39-30(38-27)21-23-6-3-4-7-29(23)45-2/h3-4,6-8,13,20,22,25-26H,5,9-12,14-19,
21H2,1-2H3,(H,38,39)(H2,35,36,37)/t25-,26-
InChIKeyJHZWEYCWMPNVEC-DIVCQZSQSA-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
Reference19217287
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesIGF-IR |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23335508
ChEMBL Link CHEMBL443098
 
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