| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3326485
Max Phase: Preclinical
Molecular Formula: C22H19NO5
Molecular Weight: 377.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc2[nH]cc(C(c3ccccc3)c3oc(CO)cc(=O)c3O)c2c1
Standard InChI: InChI=1S/C22H19NO5/c1-27-14-7-8-18-16(9-14)17(11-23-18)20(13-5-3-2-4-6-13)22-21(26)19(25)10-15(12-24)28-22/h2-11,20,23-24,26H,12H2,1H3
Standard InChI Key: NMBYRWGKAYQPGO-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: 377.40 | Molecular Weight (Monoisotopic): 377.1263 | AlogP: 3.51 | #Rotatable Bonds: 5 |
| Polar Surface Area: 95.69 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.22 | CX Basic pKa: | CX LogP: 2.80 | CX LogD: 2.79 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.49 | Np Likeness Score: 0.28 |
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):