| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4113455
Max Phase: Preclinical
Molecular Formula: C11H22N2O6
Molecular Weight: 278.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)C(=O)OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Standard InChI: InChI=1S/C11H22N2O6/c1-12(2)11(18)19-4-3-13-5-8(15)10(17)9(16)7(13)6-14/h7-10,14-17H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
Standard InChI Key: CBTNGLNOAULTHM-UTINFBMNSA-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: 278.31 | Molecular Weight (Monoisotopic): 278.1478 | AlogP: -2.56 | #Rotatable Bonds: 4 |
| Polar Surface Area: 113.70 | Molecular Species: NEUTRAL | 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: 6.77 | CX LogP: -2.64 | CX LogD: -2.73 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.45 | Np Likeness Score: 0.64 |
References
| 1. (2015) Method for the treatment of pompe disease using 1-deoxynojirimycin and derivatives, |
Source
Source(1):