| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2289569
Max Phase: Preclinical
Molecular Formula: C8H11N3S2
Molecular Weight: 213.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)C1CSC(C#N)(C#N)SC1
Standard InChI: InChI=1S/C8H11N3S2/c1-11(2)7-3-12-8(5-9,6-10)13-4-7/h7H,3-4H2,1-2H3
Standard InChI Key: WBGSKTRGCQQTNO-UHFFFAOYSA-N
Associated Targets(non-human)
Henosepilachna vigintioctopunctata 143 Activities
Tetranychus urticae 2600 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Chilo suppressalis 440 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: 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: 213.33 | Molecular Weight (Monoisotopic): 213.0394 | AlogP: 1.14 | #Rotatable Bonds: 1 |
| Polar Surface Area: 50.82 | Molecular Species: BASE | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.61 | CX LogP: 1.28 | CX LogD: 0.05 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.65 | Np Likeness Score: -0.31 |
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):