| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3326483
Max Phase: Preclinical
Molecular Formula: C23H29NO4
Molecular Weight: 383.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCC(c1oc(CO)cc(=O)c1O)c1c[nH]c2ccccc12
Standard InChI: InChI=1S/C23H29NO4/c1-2-3-4-5-6-7-11-18(19-14-24-20-12-9-8-10-17(19)20)23-22(27)21(26)13-16(15-25)28-23/h8-10,12-14,18,24-25,27H,2-7,11,15H2,1H3
Standard InChI Key: DKCSSFFNDYRIOZ-UHFFFAOYSA-N
Associated Targets(non-human)
Solute carrier family 2, facilitated glucose transporter member 4 143 Activities
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: 383.49 | Molecular Weight (Monoisotopic): 383.2097 | AlogP: 5.20 | #Rotatable Bonds: 10 |
| Polar Surface Area: 86.46 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.51 | CX Basic pKa: | CX LogP: 4.93 | CX LogD: 4.93 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.42 | Np Likeness Score: 0.64 |
References
| 1. Sharma DK, Pandey J, Tamrakar AK, Mukherjee D.. (2014) Synthesis of heteroaryl/aryl kojic acid conjugates as stimulators of glucose uptake by GLUT4 translocation., 85 [PMID:25129867] [10.1016/j.ejmech.2014.08.041] |
Source
Source(1):