| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2435526
Max Phase: Preclinical
Molecular Formula: C19H17NO4
Molecular Weight: 323.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)c1ccc(-c2cc3cc(/C=C/C(=O)O)cc(O)c3o2)cc1
Standard InChI: InChI=1S/C19H17NO4/c1-20(2)15-6-4-13(5-7-15)17-11-14-9-12(3-8-18(22)23)10-16(21)19(14)24-17/h3-11,21H,1-2H3,(H,22,23)/b8-3+
Standard InChI Key: BREJHKUDWGBPLD-FPYGCLRLSA-N
Associated Targets(Human)
Amyloid-beta A4 protein 8510 Activities
Associated Targets(non-human)
HT-22 3261 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: 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 |
|---|
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: 323.35 | Molecular Weight (Monoisotopic): 323.1158 | AlogP: 3.97 | #Rotatable Bonds: 4 |
| Polar Surface Area: 73.91 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.59 | CX Basic pKa: 4.26 | CX LogP: 2.88 | CX LogD: 0.13 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.71 | Np Likeness Score: 0.44 |
References
| 1. Lee YS, Kim HY, Youn HM, Seo JH, Kim Y, Shin KJ.. (2013) 2-Phenylbenzofuran derivatives alleviate mitochondrial damage via the inhibition of β-amyloid aggregation., 23 (21): [PMID:24076170] [10.1016/j.bmcl.2013.08.087] |
Source
Source(1):