| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5287857
Max Phase: Preclinical
Molecular Formula: C13H13Cl2NO
Molecular Weight: 270.16
Associated Items:
Representations
Canonical SMILES: CC(C)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
Standard InChI: InChI=1S/C13H13Cl2NO/c1-7(2)5-8-3-4-9-10(14)6-11(15)13(17)12(9)16-8/h3-4,6-7,17H,5H2,1-2H3
Standard InChI Key: MADQMJFZZHAZSB-UHFFFAOYSA-N
Associated Targets(non-human)
dengue virus type 2 2400 Activities
Vero 26788 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 270.16 | Molecular Weight (Monoisotopic): 269.0374 | AlogP: 4.45 | #Rotatable Bonds: 2 |
| Polar Surface Area: 33.12 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.97 | CX Basic pKa: 3.77 | CX LogP: 4.60 | CX LogD: 4.03 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.87 | Np Likeness Score: -0.53 |
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):