Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001175
Inhibitor ClassAzaspiro-octane
Molecule Name in Refrence Article22 compound
IUPAC Namemethyl (6S,7S)-7-(hydroxycarbamoyl)-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylate
FormulaC22H27N3O5
Mass413.4669
Exact Mass413.195071
Composition C (63.91%), H (6.58%), N (10.16%), O (19.35%)
Atom Count57
PI2.61
Smiles[C@H]1([C@H](N(CC2(C1)CC2)C(=O)OC)C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO
InChI1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2
-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
InChIKeyCKZHFOKQZRZCPF-ROUUACIJSA-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
Reference17256836
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesADAM-10 | MMP-1 | MMP-2 | MMP-3 | MMP-9 | ALL
Pub Chem Link 11625778
Drug Bank Link -
ChemSpider Link 9800525
ChEMBL Link CHEMBL434567
 
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