| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5283451
Max Phase: Preclinical
Molecular Formula: C14H10O4
Molecular Weight: 242.23
Associated Items:
Representations
Canonical SMILES: Oc1cc2ccc3cc(O)c(O)cc3c2cc1O
Standard InChI: InChI=1S/C14H10O4/c15-11-3-7-1-2-8-4-12(16)14(18)6-10(8)9(7)5-13(11)17/h1-6,15-18H
Standard InChI Key: CGLAXEZXIRQOBS-UHFFFAOYSA-N
Associated Targets(Human)
SNCA Tchem Alpha-synuclein (10960 Activities)
Molecule Features
| Natural Product: Yes | 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 242.23 | Molecular Weight (Monoisotopic): 242.0579 | AlogP: 2.82 | #Rotatable Bonds: 0 |
| Polar Surface Area: 80.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.78 | CX Basic pKa: | CX LogP: 2.74 | CX LogD: 2.72 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.36 | Np Likeness Score: 0.52 |
References
| 1. Bernardes G, Munir O, Krol ES.. (2023) The effect of diphenylethane side-chain substituents on dibenzocyclohexadiene formation and their inhibition of α-synuclein aggregation in vitro., 78 [PMID:36587551] [10.1016/j.bmc.2022.117147] |
Source
Source(1):