| General Property |
| Molceule ID (DB) | EGIN0001175 |
| Inhibitor Class | Azaspiro-octane |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | methyl (6S,7S)-7-(hydroxycarbamoyl)-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylate |
| Formula | C22H27N3O5 |
| Mass | 413.4669 |
| Exact Mass | 413.195071 |
| Composition | C (63.91%), H (6.58%), N (10.16%), O (19.35%) |
| Atom Count | 57 |
| PI | 2.61 |
| Smiles | [C@H]1([C@H](N(CC2(C1)CC2)C(=O)OC)C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |
| InChI | 1S/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 |
| InChIKey | CKZHFOKQZRZCPF-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 |
11625778
|
| Drug Bank Link | - |
| ChemSpider Link | 9800525 |
| ChEMBL Link | CHEMBL434567 |
