N-{[(1S,2R,3R,5R,7S,7aR)-1,2,7-trihydroxy-5-(hydroxymethyl)-hexahydro-1H-pyrrolizin-3-yl]methyl}acetamide
AlkaPlorer ID: AK459070
Synonym: None
IUPAC Name: N-[[(1R,2S,3S,5S,7R,8S)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl]acetamide
Structure
SMILES: CC(O)=NC[C@H]1[C@H](O)[C@H](O)[C@@H]2[C@H](O)C[C@@H](CO)N21
InChI: InChI=1S/C11H20N2O5/c1-5(15)12-3-7-10(17)11(18)9-8(16)2-6(4-14)13(7)9/h6-11,14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7-,8+,9-,10-,11+/m0/s1
InChIKey: MQMFKTWPMVRWJQ-OJHQEIPXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Metapochonia suchlasporia | Metapochonia | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 260.29
TPSA？: 116.75
MolLogP？: -2.1370999999999984
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Endo-beta-N-acetylglucosaminidase | IC50 | 2.39 | nM | 10.1016/j.bmc.2009.08.052 |
| Homo sapiens | Endo-beta-N-acetylglucosaminidase | Ki | 1.25 | nM | 10.1016/j.bmc.2009.08.052 |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmc.2009.08.052 |
| None | Unchecked | IC50 | 0.288 | nM | 10.1016/j.bmc.2009.08.052 |
| None | Unchecked | IC50 | 1.06 | nM | 10.1016/j.bmc.2009.08.052 |
| None | Unchecked | IC50 | 5.96 | nM | 10.1016/j.bmc.2009.08.052 |
| None | Unchecked | IC50 | 20.3 | nM | 10.1016/j.bmc.2009.08.052 |
| None | Unchecked | IC50 | 42.1 | nM | 10.1016/j.bmc.2009.08.052 |
| None | Unchecked | Ki | 0.162 | nM | 10.1016/j.bmc.2009.08.052 |
| None | Unchecked | Ki | 1.04 | nM | 10.1016/j.bmc.2009.08.052 |
| None | Unchecked | Ki | 1.77 | nM | 10.1016/j.bmc.2009.08.052 |
| None | Unchecked | Ki | 13.2 | nM | 10.1016/j.bmc.2009.08.052 |
| None | Unchecked | Ki | 141.0 | nM | 10.1016/j.bmc.2009.08.052 |