| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4529198
Max Phase: Preclinical
Molecular Formula: C16H8FN3O4
Molecular Weight: 325.25
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=[N+]([O-])c1ccc2cc(-c3nnc(-c4ccccc4F)o3)oc2c1
Standard InChI: InChI=1S/C16H8FN3O4/c17-12-4-2-1-3-11(12)15-18-19-16(24-15)14-7-9-5-6-10(20(21)22)8-13(9)23-14/h1-8H
Standard InChI Key: GKNJNGUAMXXHQL-UHFFFAOYSA-N
Associated Targets(non-human)
Alpha-glucosidase 187 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 325.25 | Molecular Weight (Monoisotopic): 325.0499 | AlogP: 4.20 | #Rotatable Bonds: 3 |
| Polar Surface Area: 95.20 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.17 | CX LogD: 3.17 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.41 | Np Likeness Score: -1.40 |
References
| 1. Dhameja M, Gupta P.. (2019) Synthetic heterocyclic candidates as promising α-glucosidase inhibitors: An overview., 176 [PMID:31112894] [10.1016/j.ejmech.2019.04.025] |
| 2. Zhang HZ, Zhao ZL, Zhou CH.. (2018) Recent advance in oxazole-based medicinal chemistry., 144 [PMID:29288945] [10.1016/j.ejmech.2017.12.044] |
Source
Source(1):