| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286993
Max Phase: Preclinical
Molecular Formula: C20H20ClN3O2
Molecular Weight: 369.85
Associated Items:
Representations
Canonical SMILES: CN(C)CCNC(=O)c1cc(Oc2ccccc2)nc2ccc(Cl)cc12
Standard InChI: InChI=1S/C20H20ClN3O2/c1-24(2)11-10-22-20(25)17-13-19(26-15-6-4-3-5-7-15)23-18-9-8-14(21)12-16(17)18/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)
Standard InChI Key: ZANQYDVXRDCGDW-UHFFFAOYSA-N
Associated Targets(non-human)
enterovirus D68 324 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: 369.85 | Molecular Weight (Monoisotopic): 369.1244 | AlogP: 3.97 | #Rotatable Bonds: 6 |
| Polar Surface Area: 54.46 | Molecular Species: BASE | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.51 | CX LogP: 3.92 | CX LogD: 2.78 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.71 | Np Likeness Score: -1.62 |
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):