| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA12560
Max Phase: Preclinical
Molecular Formula: C9H7Cl2F3O4S2
Molecular Weight: 371.19
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(S(=O)(=O)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C(F)(F)F
Standard InChI: InChI=1S/C9H7Cl2F3O4S2/c1-5(20(17,18)9(12,13)14)19(15,16)6-2-3-7(10)8(11)4-6/h2-5H,1H3
Standard InChI Key: JIHXANNEMYCNKT-UHFFFAOYSA-N
Associated Targets(non-human)
Stomoxys calcitrans 84 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: 371.19 | Molecular Weight (Monoisotopic): 369.9115 | AlogP: 3.05 | #Rotatable Bonds: 3 |
| Polar Surface Area: 68.28 | Molecular Species: | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.68 | CX LogD: 3.68 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.82 | Np Likeness Score: -1.20 |
References
| 1. Wickiser DI, Wilson SA, Snyder DE, Dahnke KR, Smith CK, McDermott PJ.. (1998) Synthesis and endectocidal activity of novel 1-(arylsulfonyl)-1-[(trifluoromethyl)sulfonyl]methane derivatives., 41 (7): [PMID:9544209] [10.1021/jm970678y] |
Source
Source(1):