Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001169
Inhibitor ClassAzaspiro-octane
Molecule Name in Refrence Article16 compound
IUPAC Name(6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-1,2,3,6-tetrahydropyridin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide
FormulaC21H26N4O5
Mass414.4549
Exact Mass414.19032
Composition C (60.86%), H (6.32%), N (13.52%), O (19.3%)
Atom Count56
PI8.36
Smiles[C@H]1([C@H](NCC2(C1)CC2)C(=O)N1CCC(=CC1)c1ccc(cc1C)N(=O)=O)C(=O)NO
InChI1S/C21H26N4O5/c1-13-10-15(25(29)30)2-3-16(13)14-4-8-24(9-5-14)20(27)18-17(19(26)23-28)11-21(6-7-21)1
2-22-18/h2-4,10,17-18,22,28H,5-9,11-12H2,1H3,(H,23,26)/t17-,18-/m0/s1
InChIKeyCDQQKPZINNWUDS-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 16108942
Drug Bank Link -
ChemSpider Link 17266359
ChEMBL Link CHEMBL373853
 
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