| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5281963
Max Phase: Preclinical
Molecular Formula: C22H26ClN3O
Molecular Weight: 383.92
Associated Items:
Representations
Canonical SMILES: CCCCCCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
Standard InChI: InChI=1S/C22H26ClN3O/c1-2-3-4-5-11-24-15-16-13-18(7-9-22(16)27)26-20-10-12-25-21-14-17(23)6-8-19(20)21/h6-10,12-14,24,27H,2-5,11,15H2,1H3,(H,25,26)
Standard InChI Key: AZWOBWYYQGVYOY-UHFFFAOYSA-N
Associated Targets(non-human)
Ebolavirus 617 Activities
Molecule Features
| Natural Product: No | 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: 383.92 | Molecular Weight (Monoisotopic): 383.1764 | AlogP: 6.01 | #Rotatable Bonds: 9 |
| Polar Surface Area: 57.18 | Molecular Species: BASE | HBA: 4 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.20 | CX Basic pKa: 10.51 | CX LogP: 4.77 | CX LogD: 3.15 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.31 | Np Likeness Score: -0.72 |
References
| 1. Kaur R, Kumar K.. (2021) Synthetic and medicinal perspective of quinolines as antiviral agents., 215 [PMID:33609889] [10.1016/j.ejmech.2021.113220] |
Source
Source(1):