| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5170103
Max Phase: Preclinical
Molecular Formula: C17H14O2
Molecular Weight: 250.30
Associated Items:
Representations
Canonical SMILES: O=C1/C(=C/c2ccccc2)CCc2c(O)cccc21
Standard InChI: InChI=1S/C17H14O2/c18-16-8-4-7-15-14(16)10-9-13(17(15)19)11-12-5-2-1-3-6-12/h1-8,11,18H,9-10H2/b13-11+
Standard InChI Key: SGBVYCVSWPQDFL-ACCUITESSA-N
Associated Targets(Human)
MAOB Tclin Monoamine oxidase B (8835 Activities)
Associated Targets(non-human)
RAW264.7 (28094 Activities)
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Adra1b Adrenergic receptor alpha-1 (5652 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Adra2a Alpha-2a adrenergic receptor (204 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: | 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: 250.30 | Molecular Weight (Monoisotopic): 250.0994 | AlogP: 3.60 | #Rotatable Bonds: 1 |
| Polar Surface Area: 37.30 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.24 | CX Basic pKa: | CX LogP: 4.03 | CX LogD: 4.03 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.78 | Np Likeness Score: 0.27 |
References
| 1. Kunwar S, Min Lee S, Man Kadayat T, Shrestha A, Park PH, Lee ES.. (2022) Potent inhibitory activity of hydroxylated 2-benzylidene-3,4-dihydronaphthalen-1(2H)-ones on LPS-stimulated reactive oxygen species production in RAW 264.7 macrophages., 73 [PMID:35932905] [10.1016/j.bmcl.2022.128921] |
| 2. Sheng K, Song Y, Lei F, Zhao W, Fan L, Wu L, Liu Y, Wu S, Zhang Y.. (2022) Research progress in pharmacological activities and structure-activity relationships of tetralone scaffolds as pharmacophore and fluorescent skeleton., 227 [PMID:34743062] [10.1016/j.ejmech.2021.113964] |
| 3. Guglielmi P, Mathew B, Secci D, Carradori S.. (2020) Chalcones: Unearthing their therapeutic possibility as monoamine oxidase B inhibitors., 205 [PMID:32920430] [10.1016/j.ejmech.2020.112650] |
Source
Source(1):