| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4108888
Max Phase: Preclinical
Molecular Formula: C11H21NO5
Molecular Weight: 247.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CCCO1
Standard InChI: InChI=1S/C11H21NO5/c13-6-8-10(15)11(16)9(14)5-12(8)4-7-2-1-3-17-7/h7-11,13-16H,1-6H2/t7?,8-,9+,10-,11-/m1/s1
Standard InChI Key: UIMFXMIGFPYVEY-OXKBGPBOSA-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: 247.29 | Molecular Weight (Monoisotopic): 247.1420 | AlogP: -2.08 | #Rotatable Bonds: 3 |
| 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: 7.75 | CX LogP: -2.08 | CX LogD: -2.59 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.46 | Np Likeness Score: 1.10 |
References
| 1. (2015) Method for the treatment of pompe disease using 1-deoxynojirimycin and derivatives, |
Source
Source(1):