| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA204863
Max Phase: Preclinical
Molecular Formula: C18H36O6
Molecular Weight: 348.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1O
Standard InChI: InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-17-15(20)14(13-19)24-18(22)16(17)21/h14-22H,2-13H2,1H3/t14-,15-,16-,17+,18?/m1/s1
Standard InChI Key: HGLUMQANJFGJJO-VQVIJEGRSA-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: 348.48 | Molecular Weight (Monoisotopic): 348.2512 | AlogP: 1.72 | #Rotatable Bonds: 13 |
| Polar Surface Area: 99.38 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.31 | CX Basic pKa: | CX LogP: 2.59 | CX LogD: 2.59 |
| Aromatic Rings: 0 | Heavy Atoms: 24 | QED Weighted: 0.38 | Np Likeness Score: 1.58 |
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):