| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3326486
Max Phase: Preclinical
Molecular Formula: C22H16N2O4
Molecular Weight: 372.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1ccc2[nH]cc(C(c3ccccc3)c3oc(CO)cc(=O)c3O)c2c1
Standard InChI: InChI=1S/C22H16N2O4/c23-10-13-6-7-18-16(8-13)17(11-24-18)20(14-4-2-1-3-5-14)22-21(27)19(26)9-15(12-25)28-22/h1-9,11,20,24-25,27H,12H2
Standard InChI Key: UWSPZIUREPMJAU-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: 372.38 | Molecular Weight (Monoisotopic): 372.1110 | AlogP: 3.37 | #Rotatable Bonds: 4 |
| Polar Surface Area: 110.25 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.00 | CX Basic pKa: | CX LogP: 2.81 | CX LogD: 2.80 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.51 | Np Likeness Score: -0.08 |
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):