| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA350524
Max Phase: Preclinical
Molecular Formula: C4H8O3
Molecular Weight: 104.11
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O[C@@H]1COC[C@H]1O
Standard InChI: InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1
Standard InChI Key: SSYDTHANSGMJTP-QWWZWVQMSA-N
Associated Targets(non-human)
Beta-glucosidase 120 Activities
Beta-galactosidase 1278 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 104.11 | Molecular Weight (Monoisotopic): 104.0473 | AlogP: -1.26 | #Rotatable Bonds: 0 |
| Polar Surface Area: 49.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.06 | CX Basic pKa: | CX LogP: -1.31 | CX LogD: -1.31 |
| Aromatic Rings: 0 | Heavy Atoms: 7 | QED Weighted: 0.40 | Np Likeness Score: 1.15 |
References
| 1. Field RA, Haines AH, Chrystal EJ. (1991) The Interaction of Anhydroalditols with Sweet-Almond -glucosidase and Escherichia coli -galactosidase: implications for the design of potent glycosidase inhibitors, 1 (12): [10.1016/S0960-894X(01)81044-1] |
Source
Source(1):