| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5268199
Max Phase: Preclinical
Molecular Formula: C30H26O8
Molecular Weight: 514.53
Associated Items:
Representations
Canonical SMILES: COc1cc([C@H]2Oc3c(ccc(/C=C/c4cc(O)cc(O)c4)c3OC)[C@@H]2c2cc(O)cc(O)c2)ccc1O
Standard InChI: InChI=1S/C30H26O8/c1-36-26-13-18(6-8-25(26)35)28-27(19-11-22(33)15-23(34)12-19)24-7-5-17(29(37-2)30(24)38-28)4-3-16-9-20(31)14-21(32)10-16/h3-15,27-28,31-35H,1-2H3/b4-3+/t27-,28+/m0/s1
Standard InChI Key: XDGWJIZULZPGDK-VZQPWECRSA-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: 514.53 | Molecular Weight (Monoisotopic): 514.1628 | AlogP: 5.67 | #Rotatable Bonds: 6 |
| Polar Surface Area: 128.84 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 5 |
| #RO5 Violations: 2 | HBA (Lipinski): 8 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 8.53 | CX Basic pKa: | CX LogP: 5.65 | CX LogD: 5.61 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.21 | Np Likeness Score: 1.25 |
References
| 1. Mattio LM, Catinella G, Pinto A, Dallavalle S.. (2020) Natural and nature-inspired stilbenoids as antiviral agents., 202 [PMID:32652408] [10.1016/j.ejmech.2020.112541] |
Source
Source(1):