| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5172077
Max Phase: Preclinical
Molecular Formula: C12H10Cl2N4O4S
Molecular Weight: 377.21
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)o2)C1=O
Standard InChI: InChI=1S/C12H10Cl2N4O4S/c1-23(20,21)18-5-4-17(12(18)19)11-16-15-10(22-11)8-3-2-7(13)6-9(8)14/h2-3,6H,4-5H2,1H3
Standard InChI Key: BVAMTLUDGQEOOS-UHFFFAOYSA-N
Associated Targets(non-human)
Aedes aegypti 630 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: 377.21 | Molecular Weight (Monoisotopic): 375.9800 | AlogP: 2.25 | #Rotatable Bonds: 3 |
| Polar Surface Area: 96.61 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.18 | CX LogD: 1.18 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.81 | Np Likeness Score: -1.81 |
References
| 1. De S, Aamna B, Sahu R, Parida S, Behera SK, Dan AK.. (2022) Seeking heterocyclic scaffolds as antivirals against dengue virus., 240 [PMID:35816877] [10.1016/j.ejmech.2022.114576] |
Source
Source(1):