| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3349555
Max Phase: Preclinical
Molecular Formula: C6H13NO4
Molecular Weight: 163.17
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O[C@@H]1[C@H](O)[C@H](O)CNC[C@H]1O
Standard InChI: InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
Standard InChI Key: MRFFNLOQLBWKPJ-KAZBKCHUSA-N
Associated Targets(Human)
Alpha-L-fucosidase I 304 Activities
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 |
|---|
Properties
| Molecular Weight: 163.17 | Molecular Weight (Monoisotopic): 163.0845 | AlogP: -2.97 | #Rotatable Bonds: 0 |
| Polar Surface Area: 92.95 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.72 | CX Basic pKa: 8.49 | CX LogP: -2.89 | CX LogD: -4.00 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.26 | Np Likeness Score: 1.15 |
References
| 1. Robina I, Moreno-Vargas AJ, Fernández-Bolaños JG, Fuentes J, Demange R, Vogel P.. (2001) New leads for selective inhibitors of alpha-L-fucosidases. Synthesis and glycosidase inhibitory activities of [(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]furan derivatives., 11 (18): [PMID:11549468] [10.1016/s0960-894x(01)00497-8] |
Source
Source(1):