| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2115566
Max Phase: Preclinical
Molecular Formula: C6H10O3
Molecular Weight: 130.14
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H]1OC=C[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C6H10O3/c1-4-6(8)5(7)2-3-9-4/h2-8H,1H3/t4-,5+,6+/m0/s1
Standard InChI Key: ZPKHLHZFXAQVMQ-KVQBGUIXSA-N
Associated Targets(Human)
Alpha-L-fucosidase I 304 Activities
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: 130.14 | Molecular Weight (Monoisotopic): 130.0630 | AlogP: -0.36 | #Rotatable Bonds: 0 |
| Polar Surface Area: 49.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.04 | CX Basic pKa: | CX LogP: -0.59 | CX LogD: -0.59 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.47 | Np Likeness Score: 2.55 |
References
| 1. Dumas DP, Kajimoto T, Liu KK, Wong C, Berkowitz DB, Danieshefsky SJ. (1992) Azasugar and glycal inhibitors of -L-fucosidase, 2 (1): [10.1016/S0960-894X(00)80649-6] |
Source
Source(1):