| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269130
Max Phase: Preclinical
Molecular Formula: C38H32O11
Molecular Weight: 664.66
Associated Items:
Representations
Canonical SMILES: CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc3c2C(c2cc(OC(C)=O)cc(OC(C)=O)c2)C(c2ccc(OC(C)=O)cc2)O3)cc1
Standard InChI: InChI=1S/C38H32O11/c1-21(39)44-30-12-7-26(8-13-30)6-9-28-16-34(48-25(5)43)20-35-36(28)37(38(49-35)27-10-14-31(15-11-27)45-22(2)40)29-17-32(46-23(3)41)19-33(18-29)47-24(4)42/h6-20,37-38H,1-5H3/b9-6+
Standard InChI Key: LHVRYJIGNZCROE-RMKNXTFCSA-N
Associated Targets(Human)
Huh-7.5 200 Activities
Associated Targets(non-human)
Hepatitis C virus 23859 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: 664.66 | Molecular Weight (Monoisotopic): 664.1945 | AlogP: 6.75 | #Rotatable Bonds: 9 |
| Polar Surface Area: 140.73 | Molecular Species: NEUTRAL | HBA: 11 | HBD: 0 |
| #RO5 Violations: 3 | HBA (Lipinski): 11 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 3 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.51 | CX LogD: 5.51 |
| Aromatic Rings: 4 | Heavy Atoms: 49 | QED Weighted: 0.11 | Np Likeness Score: 0.64 |
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):