| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Tunicatachalcone
ID: ALA5191750
Max Phase: Preclinical
Molecular Formula: C26H30O4
Molecular Weight: 406.52
Associated Items:
Representations
Canonical SMILES: COC1=CC(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)/C1=C(O)/C=C/c1ccccc1
Standard InChI: InChI=1S/C26H30O4/c1-18(2)13-15-26(16-14-19(3)4)23(28)17-22(30-5)24(25(26)29)21(27)12-11-20-9-7-6-8-10-20/h6-14,17,27H,15-16H2,1-5H3/b12-11+,24-21-
Standard InChI Key: FHECBCWIVGBBEG-OKCWMKPZSA-N
Associated Targets(Human)
RIPK2 Tchem Serine/threonine-protein kinase RIPK2 (1546 Activities)
Associated Targets(non-human)
BV-2 (3710 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Ripk2 Receptor-interacting serine/threonine-protein kinase 2 (5 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: 406.52 | Molecular Weight (Monoisotopic): 406.2144 | AlogP: 5.89 | #Rotatable Bonds: 7 |
| Polar Surface Area: 63.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.52 | CX Basic pKa: | CX LogP: 5.70 | CX LogD: 5.70 |
| Aromatic Rings: 1 | Heavy Atoms: 30 | QED Weighted: 0.27 | Np Likeness Score: 1.64 |
References
| 1. Wen R, Lv J, Jia P, Yang W, Wang N, Wu X, Xue Z, Liu Y.. (2022) The protective effects of natural product tunicatachalcone against neuroinflammation via targeting RIPK2 in microglia BV-2 cells stimulated by LPS., 69 [PMID:35792403] [10.1016/j.bmc.2022.116916] |
Source
Source(1):