| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4784996
Max Phase: Preclinical
Molecular Formula: C16H14O4
Molecular Weight: 270.28
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(O)cc1/C=C/C(=O)c1ccc(O)cc1
Standard InChI: InChI=1S/C16H14O4/c1-20-16-9-7-14(18)10-12(16)4-8-15(19)11-2-5-13(17)6-3-11/h2-10,17-18H,1H3/b8-4+
Standard InChI Key: GQGAQNAZFBHQAB-XBXARRHUSA-N
Associated Targets(Human)
Calpain 1 1269 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 270.28 | Molecular Weight (Monoisotopic): 270.0892 | AlogP: 3.00 | #Rotatable Bonds: 4 |
| Polar Surface Area: 66.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.87 | CX Basic pKa: | CX LogP: 3.13 | CX LogD: 3.00 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.66 | Np Likeness Score: 0.33 |
References
| 1. Jeon KH,Lee E,Jun KY,Eom JE,Kwak SY,Na Y,Kwon Y. (2016) Neuroprotective effect of synthetic chalcone derivatives as competitive dual inhibitors against μ-calpain and cathepsin B through the downregulation of tau phosphorylation and insoluble Aβ peptide formation., 121 [PMID:27318120] [10.1016/j.ejmech.2016.06.008] |
Source
Source(1):