| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA568641
Max Phase: Preclinical
Molecular Formula: C6H11FO5
Molecular Weight: 182.15
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OCC1(O)O[C@H](CF)[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C6H11FO5/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,8-11H,1-2H2/t3-,4-,5+,6?/m1/s1
Standard InChI Key: ODWGBJLPHMOVNK-VRPWFDPXSA-N
Associated Targets(Human)
Solute carrier family 2, facilitated glucose transporter member 2 428 Activities
Solute carrier family 2, facilitated glucose transporter member 5 25 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: 182.15 | Molecular Weight (Monoisotopic): 182.0591 | AlogP: -2.24 | #Rotatable Bonds: 2 |
| Polar Surface Area: 90.15 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.28 | CX Basic pKa: | CX LogP: -1.87 | CX LogD: -1.87 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.39 | Np Likeness Score: 1.85 |
References
| 1. Trayner BJ, Grant TN, West FG, Cheeseman CI.. (2009) Synthesis and characterization of 6-deoxy-6-fluoro-D-fructose as a potential compound for imaging breast cancer with PET., 17 (15): [PMID:19586773] [10.1016/j.bmc.2009.06.034] |
Source
Source(1):