| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5272685
Max Phase: Preclinical
Molecular Formula: C17H16O6
Molecular Weight: 316.31
Associated Items:
Representations
Canonical SMILES: COc1ccc2oc3cc(C)c(O)c(CO)c3c(=O)c2c1OC
Standard InChI: InChI=1S/C17H16O6/c1-8-6-12-13(9(7-18)15(8)19)16(20)14-10(23-12)4-5-11(21-2)17(14)22-3/h4-6,18-19H,7H2,1-3H3
Standard InChI Key: CLHDFKDJTJWRBE-UHFFFAOYSA-N
Associated Targets(non-human)
Influenza A virus 11224 Activities
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: 316.31 | Molecular Weight (Monoisotopic): 316.0947 | AlogP: 2.47 | #Rotatable Bonds: 3 |
| Polar Surface Area: 89.13 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.89 | CX Basic pKa: | CX LogP: 2.09 | CX LogD: 2.09 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.72 | Np Likeness Score: 1.29 |
References
| 1. Takahashi JA, Barbosa BVR, Lima MTNS, Cardoso PG, Contigli C, Pimenta LPS.. (2021) Antiviral fungal metabolites and some insights into their contribution to the current COVID-19 pandemic., 46 [PMID:34438338] [10.1016/j.bmc.2021.116366] |
Source
Source(1):