| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3818106
Max Phase: Preclinical
Molecular Formula: C13H13NO2
Molecular Weight: 215.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1cccc(CNc2ccccc2O)c1
Standard InChI: InChI=1S/C13H13NO2/c15-11-5-3-4-10(8-11)9-14-12-6-1-2-7-13(12)16/h1-8,14-16H,9H2
Standard InChI Key: OALNRORLDZZFLM-UHFFFAOYSA-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 |
|---|
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: 215.25 | Molecular Weight (Monoisotopic): 215.0946 | AlogP: 2.71 | #Rotatable Bonds: 3 |
| Polar Surface Area: 52.49 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.36 | CX Basic pKa: 4.40 | CX LogP: 2.56 | CX LogD: 2.56 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.69 | Np Likeness Score: -0.46 |
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):