| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4111971
Max Phase: Preclinical
Molecular Formula: C15H17F3N2O4
Molecular Weight: 346.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: [C-]#[N+]C(c1ccc(C(F)(F)F)cc1)N1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Standard InChI: InChI=1S/C15H17F3N2O4/c1-19-14(8-2-4-9(5-3-8)15(16,17)18)20-6-11(22)13(24)12(23)10(20)7-21/h2-5,10-14,21-24H,6-7H2/t10-,11+,12-,13-,14?/m1/s1
Standard InChI Key: BYVOHQZFZXGRCZ-DYPLGBCKSA-N
Associated Targets(non-human)
Lysosomal alpha-glucosidase 58 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: 346.31 | Molecular Weight (Monoisotopic): 346.1140 | AlogP: 0.38 | #Rotatable Bonds: 3 |
| Polar Surface Area: 88.52 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.90 | CX Basic pKa: | CX LogP: -1.70 | CX LogD: -1.70 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.59 | Np Likeness Score: 0.51 |
References
| 1. (2015) Method for the treatment of pompe disease using 1-deoxynojirimycin and derivatives, |
Source
Source(1):