General Property |
Molceule ID (DB) | EGIN0001169 |
Inhibitor Class | Azaspiro-octane |
Molecule Name in Refrence Article | 16 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 |
Formula | C21H26N4O5 |
Mass | 414.4549 |
Exact Mass | 414.19032 |
Composition | C (60.86%), H (6.32%), N (13.52%), O (19.3%) |
Atom Count | 56 |
PI | 8.36 |
Smiles | [C@H]1([C@H](NCC2(C1)CC2)C(=O)N1CCC(=CC1)c1ccc(cc1C)N(=O)=O)C(=O)NO |
InChI | 1S/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 |
InChIKey | CDQQKPZINNWUDS-ROUUACIJSA-N |
2D Structure | | Structure Backbone | |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 17256836 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | ADAM-10 | MMP-1 | MMP-2 | MMP-3 | MMP-9 | ALL |
Pub Chem Link |
16108942
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Drug Bank Link | - |
ChemSpider Link | 17266359 |
ChEMBL Link | CHEMBL373853 |