| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4109259
Max Phase: Preclinical
Molecular Formula: C17H32N2O6
Molecular Weight: 360.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)CC1
Standard InChI: InChI=1S/C17H32N2O6/c1-17(2,3)25-16(24)18-6-4-11(5-7-18)8-19-9-13(21)15(23)14(22)12(19)10-20/h11-15,20-23H,4-10H2,1-3H3/t12-,13+,14-,15-/m1/s1
Standard InChI Key: OYCTVSLEPFRWFR-LXTVHRRPSA-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: 360.45 | Molecular Weight (Monoisotopic): 360.2260 | AlogP: -0.61 | #Rotatable Bonds: 3 |
| Polar Surface Area: 113.70 | Molecular Species: BASE | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.90 | CX Basic pKa: 8.51 | CX LogP: -1.12 | CX LogD: -2.25 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.53 | Np Likeness Score: 0.12 |
References
| 1. (2015) Method for the treatment of pompe disease using 1-deoxynojirimycin and derivatives, |
Source
Source(1):