| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5283873
Max Phase: Preclinical
Molecular Formula: C13H7FO4
Molecular Weight: 246.19
Associated Items:
Representations
Canonical SMILES: O=c1c2cc(F)ccc2oc2cc(O)cc(O)c12
Standard InChI: InChI=1S/C13H7FO4/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,15-16H
Standard InChI Key: KXRFVUBZRKSYGC-UHFFFAOYSA-N
Associated Targets(non-human)
Human coronavirus OC43 66 Activities
BHK-21 725 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 246.19 | Molecular Weight (Monoisotopic): 246.0328 | AlogP: 2.50 | #Rotatable Bonds: 0 |
| Polar Surface Area: 70.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.55 | CX Basic pKa: | CX LogP: 3.15 | CX LogD: 2.91 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.60 | Np Likeness Score: 0.66 |
References
| 1. Dean B, Cooper G, Shivkumar M, Snape TJ.. (2023) Hydroxy-xanthones as promising antiviral agents: Synthesis and biological evaluation against human coronavirus OC43., 84 [PMID:36863494] [10.1016/j.bmcl.2023.129211] |
Source
Source(1):