| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4740912
Max Phase: Preclinical
Molecular Formula: C19H14O4
Molecular Weight: 306.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(/C=C/c1ccc(O)c2ccccc12)c1ccc(O)cc1O
Standard InChI: InChI=1S/C19H14O4/c20-13-7-8-16(19(23)11-13)18(22)10-6-12-5-9-17(21)15-4-2-1-3-14(12)15/h1-11,20-21,23H/b10-6+
Standard InChI Key: SNAVGSHSMXDKPJ-UXBLZVDNSA-N
Associated Targets(Human)
Calpain 1 1269 Activities
Cathepsin B 3822 Activities
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Cathepsin L 3852 Activities
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SH-SY5Y 11521 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: 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 306.32 | Molecular Weight (Monoisotopic): 306.0892 | AlogP: 3.85 | #Rotatable Bonds: 3 |
| Polar Surface Area: 77.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.10 | CX Basic pKa: | CX LogP: 4.62 | CX LogD: 4.12 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.51 | Np Likeness Score: 0.51 |
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):