| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2270186
Max Phase: Preclinical
Molecular Formula: C10H13N2O4PS
Molecular Weight: 288.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN1Cc2cc([N+](=O)[O-])ccc2OP1(=S)OC
Standard InChI: InChI=1S/C10H13N2O4PS/c1-3-11-7-8-6-9(12(13)14)4-5-10(8)16-17(11,18)15-2/h4-6H,3,7H2,1-2H3
Standard InChI Key: TWERPCDSCWVHLR-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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 288.26 | Molecular Weight (Monoisotopic): 288.0334 | AlogP: 2.68 | #Rotatable Bonds: 3 |
| Polar Surface Area: 64.84 | Molecular Species: | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.20 | CX LogD: 2.20 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.48 | Np Likeness Score: -0.95 |
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):