| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3818051
Max Phase: Preclinical
Molecular Formula: C17H13NO3
Molecular Weight: 279.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1ccc(/N=C/c2c(O)ccc3ccccc23)c(O)c1
Standard InChI: InChI=1S/C17H13NO3/c19-12-6-7-15(17(21)9-12)18-10-14-13-4-2-1-3-11(13)5-8-16(14)20/h1-10,19-21H/b18-10+
Standard InChI Key: TWUXFXXYXYYQSE-VCHYOVAHSA-N
Associated Targets(Human)
APP Tclin Amyloid-beta A4 protein (8510 Activities)
Associated Targets(non-human)
Tetrahymena thermophila (42 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 |
|---|
Properties
| Molecular Weight: 279.30 | Molecular Weight (Monoisotopic): 279.0895 | AlogP: 3.71 | #Rotatable Bonds: 2 |
| Polar Surface Area: 73.05 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.94 | CX Basic pKa: 1.01 | CX LogP: 3.93 | CX LogD: 3.81 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.63 | Np Likeness Score: -0.22 |
References
| 1. Martínez A, Alcendor R, Rahman T, Podgorny M, Sanogo I, McCurdy R.. (2016) Ionophoric polyphenols selectively bind Cu(2+), display potent antioxidant and anti-amyloidogenic properties, and are non-toxic toward Tetrahymena thermophila., 24 (16): [PMID:27316544] [10.1016/j.bmc.2016.06.012] |
Source
Source(1):