| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA204038
Max Phase: Preclinical
Molecular Formula: C16H30O7
Molecular Weight: 334.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=CCOCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1O
Standard InChI: InChI=1S/C16H30O7/c1-2-8-21-9-6-4-3-5-7-10-22-15-13(18)12(11-17)23-16(20)14(15)19/h2,12-20H,1,3-11H2/t12-,13-,14-,15+,16?/m1/s1
Standard InChI Key: NFSFMGKUTXNQOD-YFVFXCHESA-N
Associated Targets(Human)
Glucose transporter 14755 Activities
Associated Targets(non-human)
Hexose transporter 1 14071 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: 334.41 | Molecular Weight (Monoisotopic): 334.1992 | AlogP: -0.04 | #Rotatable Bonds: 12 |
| Polar Surface Area: 108.61 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.31 | CX Basic pKa: | CX LogP: 0.31 | CX LogD: 0.31 |
| Aromatic Rings: 0 | Heavy Atoms: 23 | QED Weighted: 0.29 | Np Likeness Score: 1.51 |
References
| 1. Fayolle M, Ionita M, Krishna S, Morin C, Patel AP.. (2006) Probing structure/affinity relationships for the Plasmodium falciparum hexose transporter with glucose derivatives., 16 (5): [PMID:16361099] [10.1016/j.bmcl.2005.11.068] |
Source
Source(1):