| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2252256
Max Phase: Preclinical
Molecular Formula: C23H30N2O3S
Molecular Weight: 414.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1ccc(C(=O)N(SOC)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
Standard InChI: InChI=1S/C23H30N2O3S/c1-8-18-9-11-19(12-10-18)22(27)25(29-28-7)24(23(4,5)6)21(26)20-14-16(2)13-17(3)15-20/h9-15H,8H2,1-7H3
Standard InChI Key: WFAFQUCFWBTTBK-UHFFFAOYSA-N
Associated Targets(non-human)
Helicoverpa armigera 708 Activities
Ostrinia furnacalis 26 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Spodoptera litura 1708 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mythimna separata 3306 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Spodoptera exigua 540 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 414.57 | Molecular Weight (Monoisotopic): 414.1977 | AlogP: 5.37 | #Rotatable Bonds: 5 |
| Polar Surface Area: 49.85 | Molecular Species: | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.32 | CX LogD: 6.32 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.37 | Np Likeness Score: -0.69 |
References
| 1. Zhao Q, Shang J, Liu Y, Wang K, Bi F, Huang R, Wang Q.. (2007) Synthesis and insecticidal activities of novel N-sulfenyl-N'-tert-butyl-N,N'-diacylhydrazines. 1. N-alkoxysulfenate derivatives., 55 (23): [PMID:17941694] [10.1021/jf072390f] |
Source
Source(1):