| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3325459
Max Phase: Preclinical
Molecular Formula: C19H21NO4
Molecular Weight: 327.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCC(c1oc(CO)cc(=O)c1O)c1c[nH]c2ccccc12
Standard InChI: InChI=1S/C19H21NO4/c1-2-3-6-14(15-10-20-16-8-5-4-7-13(15)16)19-18(23)17(22)9-12(11-21)24-19/h4-5,7-10,14,20-21,23H,2-3,6,11H2,1H3
Standard InChI Key: VCDFJKZJAIDNQT-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: 327.38 | Molecular Weight (Monoisotopic): 327.1471 | AlogP: 3.64 | #Rotatable Bonds: 6 |
| Polar Surface Area: 86.46 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.53 | CX Basic pKa: | CX LogP: 3.16 | CX LogD: 3.15 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.64 | Np Likeness Score: 0.62 |
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):