| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4112334
Max Phase: Preclinical
Molecular Formula: C9H19NO5
Molecular Weight: 221.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Standard InChI: InChI=1S/C9H19NO5/c1-15-3-2-10-4-7(12)9(14)8(13)6(10)5-11/h6-9,11-14H,2-5H2,1H3/t6-,7+,8-,9-/m1/s1
Standard InChI Key: YBMODUHFDUDCBF-BZNPZCIMSA-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: 221.25 | Molecular Weight (Monoisotopic): 221.1263 | AlogP: -2.61 | #Rotatable Bonds: 4 |
| Polar Surface Area: 93.39 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.90 | CX Basic pKa: 7.65 | CX LogP: -2.55 | CX LogD: -2.99 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.42 | Np Likeness Score: 1.01 |
References
| 1. (2015) Method for the treatment of pompe disease using 1-deoxynojirimycin and derivatives, |
Source
Source(1):