| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4218600
Max Phase: Preclinical
Molecular Formula: C5H11NO3
Molecular Weight: 133.15
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OC[C@@H]1N[C@H](CO)[C@@H]1O
Standard InChI: InChI=1S/C5H11NO3/c7-1-3-5(9)4(2-8)6-3/h3-9H,1-2H2/t3-,4+,5+
Standard InChI Key: AFXIISCXWSSSNF-SCDXWVJYSA-N
Associated Targets(non-human)
Alpha-glucosidase 24 Activities
Alpha-mannosidase 234 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Alpha-galactosidase 4 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 133.15 | Molecular Weight (Monoisotopic): 133.0739 | AlogP: -2.33 | #Rotatable Bonds: 2 |
| Polar Surface Area: 72.72 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.93 | CX Basic pKa: 7.84 | CX LogP: -2.26 | CX LogD: -2.83 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.34 | Np Likeness Score: 2.09 |
References
| 1. Lawande PP, Sontakke VA, Kumbhar NM, Bhagwat TR, Ghosh S, Shinde VS.. (2017) Polyhydroxylated azetidine iminosugars: Synthesis, glycosidase inhibitory activity and molecular docking studies., 27 (23): [PMID:29074258] [10.1016/j.bmcl.2017.10.025] |
Source
Source(1):