Noeurostegine
AlkaPlorer ID: AK003462
Synonym: None
IUPAC Name: (1R,2S,3R,4R,5R)-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol
Structure
SMILES: C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)CO)O)O)O
InChI: InChI=1S/C8H15NO4/c10-3-4-5-1-2-8(13,9-5)7(12)6(4)11/h4-7,9-13H,1-3H2/t4-,5+,6+,7-,8+/m0/s1
InChIKey: NLSPHUUFXPUPJJ-FMGWEMOISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 189.211
TPSA？: 92.95
MolLogP？: -2.2290999999999994
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Beta-glucocerebrosidase | FC | 1.82 | None | 10.1016/j.bmcl.2010.12.106 |
| Homo sapiens | Beta-glucocerebrosidase | IC50 | 400.0 | nM | 10.1016/j.bmcl.2010.12.106 |
| Homo sapiens | HL-60 | Inhibition | nan | % | 10.1016/j.bmcl.2010.12.106 |
| Homo sapiens | Neutral alpha-glucosidase AB | Inhibition | nan | % | 10.1016/j.bmcl.2010.12.106 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.bmcl.2010.12.106 |