| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5274990
Max Phase: Preclinical
Molecular Formula: C20H21NO3
Molecular Weight: 323.39
Associated Items:
Representations
Canonical SMILES: COc1cc(/C(C)=C/c2cc3ccccc3[nH]2)cc(OC)c1OC
Standard InChI: InChI=1S/C20H21NO3/c1-13(9-16-10-14-7-5-6-8-17(14)21-16)15-11-18(22-2)20(24-4)19(12-15)23-3/h5-12,21H,1-4H3/b13-9+
Standard InChI Key: FIEJUCCXRDYPNV-UKTHLTGXSA-N
Associated Targets(Human)
Huh-7 12904 Activities
Associated Targets(non-human)
dengue virus type 2 2400 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 323.39 | Molecular Weight (Monoisotopic): 323.1521 | AlogP: 4.75 | #Rotatable Bonds: 5 |
| Polar Surface Area: 43.48 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.16 | CX LogD: 4.16 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.74 | Np Likeness Score: 0.08 |
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):