| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4107593
Max Phase: Preclinical
Molecular Formula: C10H18F3NO5
Molecular Weight: 289.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCOCC(F)(F)F
Standard InChI: InChI=1S/C10H18F3NO5/c11-10(12,13)5-19-2-1-14-3-7(16)9(18)8(17)6(14)4-15/h6-9,15-18H,1-5H2/t6-,7+,8-,9-/m1/s1
Standard InChI Key: MRFPYWCPCSYTPP-BZNPZCIMSA-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: 289.25 | Molecular Weight (Monoisotopic): 289.1137 | AlogP: -1.68 | #Rotatable Bonds: 5 |
| 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: 6.55 | CX LogP: -1.59 | CX LogD: -1.65 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.45 | Np Likeness Score: 0.18 |
References
| 1. (2015) Method for the treatment of pompe disease using 1-deoxynojirimycin and derivatives, |
Source
Source(1):