| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4108560
Max Phase: Preclinical
Molecular Formula: C18H29NO5
Molecular Weight: 339.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCOc1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
Standard InChI: InChI=1S/C18H29NO5/c1-2-3-4-9-24-14-7-5-13(6-8-14)10-19-11-16(21)18(23)17(22)15(19)12-20/h5-8,15-18,20-23H,2-4,9-12H2,1H3/t15-,16+,17-,18-/m1/s1
Standard InChI Key: GEZYKKPPPXMKIW-XMTFNYHQSA-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: 339.43 | Molecular Weight (Monoisotopic): 339.2046 | AlogP: 0.51 | #Rotatable Bonds: 8 |
| 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: 7.27 | CX LogP: 0.83 | CX LogD: 0.59 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.52 | Np Likeness Score: 0.46 |
References
| 1. (2015) Method for the treatment of pompe disease using 1-deoxynojirimycin and derivatives, |
Source
Source(1):