| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SALBOSTATIN
ID: ALA145196
Max Phase: Preclinical
Molecular Formula: C13H23NO8
Molecular Weight: 321.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OCC1=CC(NC2COC(CO)C(O)C2O)C(O)C(O)C1O
Standard InChI: InChI=1S/C13H23NO8/c15-2-5-1-6(10(18)13(21)9(5)17)14-7-4-22-8(3-16)12(20)11(7)19/h1,6-21H,2-4H2
Standard InChI Key: OCTNNXHKAOLDJL-UHFFFAOYSA-N
Associated Targets(Human)
Trehalase 5 Activities
Molecule Features
| Natural Product: Yes | 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: 321.33 | Molecular Weight (Monoisotopic): 321.1424 | AlogP: -4.56 | #Rotatable Bonds: 4 |
| Polar Surface Area: 162.87 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 8 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 8 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.58 | CX Basic pKa: 6.87 | CX LogP: -4.76 | CX LogD: -4.87 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.24 | Np Likeness Score: 2.01 |
References
| 1. Yamagishi T, Uchida C, Ogawa S. (1995) Total synthesis of trehalase inhibitor salbostatin, 5 (5): [10.1016/0960-894X(95)00055-X] |
Source
Source(1):