| General Property |
| Molceule ID (DB) | EGIN0001167 |
| Inhibitor Class | Azaspiro-octane |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | (6S,7S)-N-hydroxy-6-[(5-methyl-4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxamide |
| Formula | C21H27N3O3 |
| Mass | 369.4574 |
| Exact Mass | 369.2052417 |
| Composition | C (68.27%), H (7.37%), N (11.37%), O (12.99%) |
| Atom Count | 54 |
| PI | 8.36 |
| Smiles | [C@H]1([C@H](NCC2(C1)CC2)C(=O)N1CC(=C(CC1)c1ccccc1)C)C(=O)NO |
| InChI | 1S/C21H27N3O3/c1-14-12-24(10-7-16(14)15-5-3-2-4-6-15)20(26)18-17(19(25)23-27)11-21(8-9-21)13-22-18/h
2-6,17-18,22,27H,7-13H2,1H3,(H,23,25)/t17-,18-/m0/s1 |
| InChIKey | KALKLNBLKRHXMI-ROUUACIJSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 |
16108948
|
| Drug Bank Link | - |
| ChemSpider Link | 17266365 |
| ChEMBL Link | CHEMBL218586 |
