| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA610071
Max Phase: Preclinical
Molecular Formula: C6H10O6
Molecular Weight: 178.14
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1O[C@H](C(O)CO)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2?,3-,4+,5+/m0/s1
Standard InChI Key: SXZYCXMUPBBULW-LQXMCGDCSA-N
Associated Targets(Human)
Beta-mannosidase 62 Activities
Associated Targets(non-human)
Alpha-amylase 16 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: Yes | 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 |
|---|
Properties
| Molecular Weight: 178.14 | Molecular Weight (Monoisotopic): 178.0477 | AlogP: -3.01 | #Rotatable Bonds: 2 |
| Polar Surface Area: 107.22 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.62 | CX Basic pKa: | CX LogP: -2.75 | CX LogD: -2.75 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.34 | Np Likeness Score: 2.38 |
References
| 1. Abell AD, Ratcliffe MJ, Gerrard J.. (1998) Ascorbic acid-based inhibitors of alpha-amylases., 8 (13): [PMID:9873419] [10.1016/s0960-894x(98)00298-4] |
| 2. Therisod H, Letourneux Y, Therisod M.. (1998) A new strong inhibitor of beta-mannosidase., 8 (4): [PMID:9871687] [10.1016/s0960-894x(98)00031-6] |
Source
Source(1):