| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2272004
Max Phase: Preclinical
Molecular Formula: C15H10ClNO
Molecular Weight: 255.70
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1ccc(-c2cc(-c3ccccc3)no2)cc1
Standard InChI: InChI=1S/C15H10ClNO/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H
Standard InChI Key: KRYRJGHZBHLLGM-UHFFFAOYSA-N
Associated Targets(non-human)
Callosobruchus chinensis 111 Activities
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: 255.70 | Molecular Weight (Monoisotopic): 255.0451 | AlogP: 4.66 | #Rotatable Bonds: 2 |
| Polar Surface Area: 26.03 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.32 | CX LogP: 4.54 | CX LogD: 4.54 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.67 | Np Likeness Score: -1.51 |
References
| 1. Upadhyay A, Gopal M, Srivastava C, Pandey ND. (2010) Isoxazole derivatives as a potential insecticide for managing Callosobruchus chinensis, 35 (4): [10.1584/jpestics.G10-40] |
Source
Source(1):