| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5288482
Max Phase: Preclinical
Molecular Formula: C13H10O5
Molecular Weight: 246.22
Associated Items:
Representations
Canonical SMILES: O=C(c1ccccc1O)c1ccc(O)c(O)c1O
Standard InChI: InChI=1S/C13H10O5/c14-9-4-2-1-3-7(9)11(16)8-5-6-10(15)13(18)12(8)17/h1-6,14-15,17-18H
Standard InChI Key: APVNRHLATFVPPS-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: 246.22 | Molecular Weight (Monoisotopic): 246.0528 | AlogP: 1.74 | #Rotatable Bonds: 2 |
| Polar Surface Area: 97.99 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.90 | CX Basic pKa: | CX LogP: 3.52 | CX LogD: 2.72 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.48 | Np Likeness Score: 0.41 |
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):