| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2270183
Max Phase: Preclinical
Molecular Formula: C13H19BrNO2PS
Molecular Weight: 364.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOP1(=S)Oc2ccc(Br)cc2CN1CC(C)C
Standard InChI: InChI=1S/C13H19BrNO2PS/c1-4-16-18(19)15(8-10(2)3)9-11-7-12(14)5-6-13(11)17-18/h5-7,10H,4,8-9H2,1-3H3
Standard InChI Key: QKZNYWONFKENIV-UHFFFAOYSA-N
Associated Targets(non-human)
Laodelphax striatellus 278 Activities
Spodoptera litura 1708 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 |
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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: 364.25 | Molecular Weight (Monoisotopic): 363.0057 | AlogP: 4.56 | #Rotatable Bonds: 4 |
| Polar Surface Area: 21.70 | Molecular Species: | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.28 | CX LogD: 4.28 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.73 | Np Likeness Score: -0.55 |
References
| 1. Yoshikawa H, Ueno R. (1992) Synthesis and Insecticidal Activity of 2-Alkoxy-4H-l,3,2-benzoxazaphosphorin-2-thiones, 56 (9): [10.1271/bbb.56.1467] |
Source
Source(1):