| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA373249
Max Phase: Preclinical
Molecular Formula: C15H12O3
Molecular Weight: 240.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(/C=C/c1ccc(O)cc1O)c1ccccc1
Standard InChI: InChI=1S/C15H12O3/c16-13-8-6-12(15(18)10-13)7-9-14(17)11-4-2-1-3-5-11/h1-10,16,18H/b9-7+
Standard InChI Key: LKNPFZQVNZFLIC-VQHVLOKHSA-N
Associated Targets(Human)
Neutrophil (395 Activities)
Associated Targets(non-human)
amyS Alpha-amylase (22 Activities)
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BMY1 Beta-amylase (20 Activities)
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XDH Xanthine dehydrogenase (2296 Activities)
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 240.26 | Molecular Weight (Monoisotopic): 240.0786 | AlogP: 2.99 | #Rotatable Bonds: 3 |
| Polar Surface Area: 57.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.68 | CX Basic pKa: | CX LogP: 3.28 | CX LogD: 3.26 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.64 | Np Likeness Score: 0.48 |
References
| 1. Seo WD, Kim JH, Kang JE, Ryu HW, Curtis-Long MJ, Lee HS, Yang MS, Park KH.. (2005) Sulfonamide chalcone as a new class of alpha-glucosidase inhibitors., 15 (24): [PMID:16202584] [10.1016/j.bmcl.2005.08.087] |
| 2. Xie Z, Luo X, Zou Z, Zhang X, Huang F, Li R, Liao S, Liu Y.. (2017) Synthesis and evaluation of hydroxychalcones as multifunctional non-purine xanthine oxidase inhibitors for the treatment of hyperuricemia., 27 (15): [PMID:28655421] [10.1016/j.bmcl.2017.01.053] |
| 3. Sousa A,Lucas M,Ribeiro D,Correia CM,Silva VLM,Silva AMS,Fernandes E,Freitas M. (2020) Chalcones as Modulators of Neutrophil Oxidative Burst under Physiological and High Glucose Conditions., 83 (10): [PMID:33006891] [10.1021/acs.jnatprod.0c00728] |
Source
Source(1):