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 | ![](./image/EGIN0001167.png) | Structure Backbone | ![](./frame/f_EGIN0001167.png) |
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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 |
16108948
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Drug Bank Link | - |
ChemSpider Link | 17266365 |
ChEMBL Link | CHEMBL218586 |