| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2333308
Max Phase: Preclinical
Molecular Formula: C11H23NO3
Molecular Weight: 217.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCO[C@@H]1CNC[C@H](O)[C@H]1O
Standard InChI: InChI=1S/C11H23NO3/c1-2-3-4-5-6-15-10-8-12-7-9(13)11(10)14/h9-14H,2-8H2,1H3/t9-,10+,11+/m0/s1
Standard InChI Key: YLAJZSYMTLQYDO-HBNTYKKESA-N
Associated Targets(Human)
Beta-glucosidase 258 Activities
Beta-glucocerebrosidase 14647 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 217.31 | Molecular Weight (Monoisotopic): 217.1678 | AlogP: 0.28 | #Rotatable Bonds: 6 |
| Polar Surface Area: 61.72 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.05 | CX Basic pKa: 8.46 | CX LogP: 0.60 | CX LogD: -0.50 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.56 | Np Likeness Score: 1.26 |
References
| 1. Boyd RE, Lee G, Rybczynski P, Benjamin ER, Khanna R, Wustman BA, Valenzano KJ.. (2013) Pharmacological chaperones as therapeutics for lysosomal storage diseases., 56 (7): [PMID:23363020] [10.1021/jm301557k] |
Source
Source(1):