| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1718361
Max Phase: Preclinical
Molecular Formula: C21H13NO5
Molecular Weight: 359.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1OC(c2ccccc2)=C/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
Standard InChI: InChI=1S/C21H13NO5/c23-21-16(13-20(27-21)14-4-2-1-3-5-14)12-18-10-11-19(26-18)15-6-8-17(9-7-15)22(24)25/h1-13H/b16-12+
Standard InChI Key: SMZUTULIDFQMRT-FOWTUZBSSA-N
Associated Targets(non-human)
Eukaryotic translation initiation factor 4E 654 Activities
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: 359.34 | Molecular Weight (Monoisotopic): 359.0794 | AlogP: 4.84 | #Rotatable Bonds: 4 |
| Polar Surface Area: 82.58 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.46 | CX LogD: 4.46 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.29 | Np Likeness Score: -0.65 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):