| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3214491
Max Phase: Preclinical
Molecular Formula: C18H19N3O4
Molecular Weight: 341.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(C)cc1
Standard InChI: InChI=1S/C18H19N3O4/c1-3-24-16-10-13(11-20-21-18(19)23)6-9-15(16)25-17(22)14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H3,19,21,23)/b20-11+
Standard InChI Key: KXSZGQQBKQIXBT-RGVLZGJSSA-N
Associated Targets(non-human)
Ferritin light chain 43324 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: 341.37 | Molecular Weight (Monoisotopic): 341.1376 | AlogP: 2.62 | #Rotatable Bonds: 6 |
| Polar Surface Area: 103.01 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.87 | CX Basic pKa: 1.12 | CX LogP: 3.15 | CX LogD: 3.15 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.36 | Np Likeness Score: -1.24 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):