| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2289563
Max Phase: Preclinical
Molecular Formula: C15H19NO2S2
Molecular Weight: 309.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)C1(C(=O)c2ccccc2)SCC(N(C)C)CS1
Standard InChI: InChI=1S/C15H19NO2S2/c1-11(17)15(14(18)12-7-5-4-6-8-12)19-9-13(10-20-15)16(2)3/h4-8,13H,9-10H2,1-3H3
Standard InChI Key: JGPPCEDHWIJHHC-UHFFFAOYSA-N
Associated Targets(non-human)
Henosepilachna vigintioctopunctata 143 Activities
Tetranychus urticae 2600 Activities
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Chilo suppressalis 440 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 309.46 | Molecular Weight (Monoisotopic): 309.0857 | AlogP: 2.56 | #Rotatable Bonds: 4 |
| Polar Surface Area: 37.38 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.26 | CX LogP: 3.25 | CX LogD: 3.01 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.63 | Np Likeness Score: 0.03 |
References
| 1. MITSUDERA H, KONISHI K. (1991) Synthesis and Insecticidal Activity of 1, 3-Dithianes, 16 (3): [10.1584/jpestics.16.387] |
Source
Source(1):