| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1689642
Max Phase: Preclinical
Molecular Formula: C14H28O7S
Molecular Weight: 340.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCS(=O)(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Standard InChI: InChI=1S/C14H28O7S/c1-2-3-4-5-6-7-8-22(19,20)14-13(18)12(17)11(16)10(9-15)21-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13+,14-/m1/s1
Standard InChI Key: BOZLAAFUAKZBCA-PEBLQZBPSA-N
Associated Targets(non-human)
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B 17 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: 340.44 | Molecular Weight (Monoisotopic): 340.1556 | AlogP: -0.44 | #Rotatable Bonds: 9 |
| Polar Surface Area: 124.29 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.21 | CX Basic pKa: | CX LogP: -0.23 | CX LogD: -0.23 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.42 | Np Likeness Score: 0.89 |
References
| 1. Poláková M, Šesták S, Lattová E, Petruš L, Mucha J, Tvaroška I, Kóňa J.. (2011) α-D-mannose derivatives as models designed for selective inhibition of Golgi α-mannosidase II., 46 (3): [PMID:21295890] [10.1016/j.ejmech.2011.01.012] |
Source
Source(1):