| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4741582
Max Phase: Preclinical
Molecular Formula: C14H12O4
Molecular Weight: 244.25
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(/C=C/C(=O)c2ccco2)ccc1O
Standard InChI: InChI=1S/C14H12O4/c1-17-14-9-10(5-7-12(14)16)4-6-11(15)13-3-2-8-18-13/h2-9,16H,1H3/b6-4+
Standard InChI Key: STLBSFWSUKEUPF-GQCTYLIASA-N
Associated Targets(Human)
Calpain 1 1269 Activities
Cathepsin B 3822 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: 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: 244.25 | Molecular Weight (Monoisotopic): 244.0736 | AlogP: 2.89 | #Rotatable Bonds: 4 |
| Polar Surface Area: 59.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.50 | CX Basic pKa: | CX LogP: 2.49 | CX LogD: 2.49 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.66 | Np Likeness Score: 0.11 |
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):